smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(Nc2cc(N3CCN(C)CC3)ncn2)c(OC)c1 ZINC000216847553 241215727 /nfs/dbraw/zinc/21/57/27/241215727.db2.gz VGCJSOJXKSXNFX-UHFFFAOYSA-N 0 0 329.404 1.989 50 70 EDIARN O=C(CCc1nc2ccccc2s1)N1Cc2cnn(CCO)c2C1 ZINC000217013324 241231434 /nfs/dbraw/zinc/23/14/34/241231434.db2.gz MGAQKOCBKNRQTL-UHFFFAOYSA-N 0 0 342.424 1.960 50 70 EDIARN C[C@H](O)c1cc2n(n1)CCN(CCS(=O)(=O)c1ccccc1)C2 ZINC000217089146 241235441 /nfs/dbraw/zinc/23/54/41/241235441.db2.gz VLMFWXGPZVGKRK-ZDUSSCGKSA-N 0 0 335.429 1.226 50 70 EDIARN COC(=O)CS[C@H]1CCN(C(=O)c2ccc3nsnc3c2)C1 ZINC000217554800 241258313 /nfs/dbraw/zinc/25/83/13/241258313.db2.gz NBORFTWSKPDEDQ-JTQLQIEISA-N 0 0 337.426 1.812 50 70 EDIARN Cc1[nH]c2c(c1C(=O)NCCc1nncn1C(C)C)C(=O)CCC2 ZINC000218522040 241329184 /nfs/dbraw/zinc/32/91/84/241329184.db2.gz XJVIJBUKNQFPLQ-UHFFFAOYSA-N 0 0 329.404 1.987 50 70 EDIARN Cc1ccc2[nH]c(CCNC(=O)C[C@H]3C=CS(=O)(=O)C3)nc2c1 ZINC000217994881 241289614 /nfs/dbraw/zinc/28/96/14/241289614.db2.gz QCXMEBOYGPKHDC-GFCCVEGCSA-N 0 0 333.413 1.478 50 70 EDIARN COc1ccccc1CCN1C[C@H](C(=O)N2CCSCC2)CC1=O ZINC000218180174 241304139 /nfs/dbraw/zinc/30/41/39/241304139.db2.gz YUIOITMJWQLCLN-OAHLLOKOSA-N 0 0 348.468 1.662 50 70 EDIARN Cc1nc(CCNc2cc(C3CC(O)C3)ncn2)nc2c1CCC2 ZINC000218197891 241305215 /nfs/dbraw/zinc/30/52/15/241305215.db2.gz GGHYLKUEGUYUCU-UHFFFAOYSA-N 0 0 325.416 1.957 50 70 EDIARN Cc1ncsc1CCC(=O)N[C@H](c1cnn(C)c1)[C@H]1C[C@H](O)C1 ZINC000218195100 241305769 /nfs/dbraw/zinc/30/57/69/241305769.db2.gz NRNSZXFSXWYQSB-GHJWDPDVSA-N 0 0 334.445 1.746 50 70 EDIARN O=C(CN1CCNC(=O)C1)N1CCCC[C@@H]1CCc1cccc(O)c1 ZINC000218266916 241311215 /nfs/dbraw/zinc/31/12/15/241311215.db2.gz HKIRZKPZXIDYPL-MRXNPFEDSA-N 0 0 345.443 1.138 50 70 EDIARN CCC(=O)NCC(=O)N[C@H](c1cnc2ccccc2c1)C1CC(O)C1 ZINC000218593060 241332269 /nfs/dbraw/zinc/33/22/69/241332269.db2.gz PXZIUENTYXSEGU-XBMPDCEQSA-N 0 0 341.411 1.689 50 70 EDIARN CC(C)CN1C[C@@H](C(=O)NCCCc2nnc3ccccn32)CC1=O ZINC000218165733 535140139 /nfs/dbraw/zinc/14/01/39/535140139.db2.gz QLYLXHGLUWBYRS-AWEZNQCLSA-N 0 0 343.431 1.283 50 70 EDIARN COC[C@@](C)(O)CNS(=O)(=O)c1ccccc1OC(F)(F)F ZINC000217572568 241261387 /nfs/dbraw/zinc/26/13/87/241261387.db2.gz OEQPFKOCSJVQJN-NSHDSACASA-N 0 0 343.323 1.261 50 70 EDIARN CCOc1ccccc1C(=O)N1CC(Oc2cc(C)n(C)c(=O)c2)C1 ZINC000217755278 241273348 /nfs/dbraw/zinc/27/33/48/241273348.db2.gz GFIYGYQRKCTXBF-UHFFFAOYSA-N 0 0 342.395 1.996 50 70 EDIARN Cc1nc2c(c(=O)[nH]1)CCN(C(=O)CCc1ccc(F)c(F)c1)CC2 ZINC000217099275 241235608 /nfs/dbraw/zinc/23/56/08/241235608.db2.gz SSNDCAMXNWUNFR-UHFFFAOYSA-N 0 0 347.365 1.917 50 70 EDIARN O=C(c1cc(CO)ccn1)N1CCCN(Cc2cccnc2)CC1 ZINC000217433005 241249925 /nfs/dbraw/zinc/24/99/25/241249925.db2.gz SWYKQNQXGNDZFG-UHFFFAOYSA-N 0 0 326.400 1.317 50 70 EDIARN Cc1noc(-c2cn(CCNC(=O)[C@H](C)Oc3ccccc3)nn2)n1 ZINC000217467368 241252922 /nfs/dbraw/zinc/25/29/22/241252922.db2.gz SDOVYPNPRSJVMG-NSHDSACASA-N 0 0 342.359 1.220 50 70 EDIARN Cc1cc(S(=O)(=O)NCC[C@H](O)c2cccn2C)ccc1F ZINC000217941683 241285003 /nfs/dbraw/zinc/28/50/03/241285003.db2.gz WENOAPKLSURFLR-HNNXBMFYSA-N 0 0 326.393 1.875 50 70 EDIARN COCCc1noc([C@@H]2CCCN(C(=O)CCc3cccnc3)C2)n1 ZINC000218162009 241302159 /nfs/dbraw/zinc/30/21/59/241302159.db2.gz XRIJKWBIRSXRSQ-OAHLLOKOSA-N 0 0 344.415 1.992 50 70 EDIARN COC[C@@H]1[C@H](NC(=O)Cc2ccc3[nH]c(C)nc3c2)[C@@H]2CCO[C@H]12 ZINC000218261799 241309666 /nfs/dbraw/zinc/30/96/66/241309666.db2.gz FGDDLMGGMMJHJD-DECQCQTCSA-N 0 0 329.400 1.580 50 70 EDIARN O=C(c1ccn(C(F)F)n1)N1CCCC[C@H]1CN1CCOCC1 ZINC000218306715 241313945 /nfs/dbraw/zinc/31/39/45/241313945.db2.gz YIPJZEPCIBUJEO-LBPRGKRZSA-N 0 0 328.363 1.605 50 70 EDIARN Cc1cc(C)n(C[C@H]2CCCO2)c(=O)c1C(=O)NCc1cccnc1 ZINC000218545646 241331582 /nfs/dbraw/zinc/33/15/82/241331582.db2.gz DMIUJUMXWDBPKZ-MRXNPFEDSA-N 0 0 341.411 1.969 50 70 EDIARN O=C(Cn1c(=O)oc2ccccc21)NCCSC1CCOCC1 ZINC000217702068 241270914 /nfs/dbraw/zinc/27/09/14/241270914.db2.gz LLUBFSCJSAGYPS-UHFFFAOYSA-N 0 0 336.413 1.623 50 70 EDIARN COc1ccccc1N1CCN(C(=O)Cc2nonc2C)[C@@H](C)C1 ZINC000217086031 241236969 /nfs/dbraw/zinc/23/69/69/241236969.db2.gz ORCCHQMWIQTSMM-LBPRGKRZSA-N 0 0 330.388 1.666 50 70 EDIARN CSCC[C@H](NC(C)=O)C(=O)N1CC(Oc2ccccc2F)C1 ZINC000217144645 241238146 /nfs/dbraw/zinc/23/81/46/241238146.db2.gz OSVLAIVVPVEOSB-AWEZNQCLSA-N 0 0 340.420 1.673 50 70 EDIARN Cn1ccnc1CN1CCN(C(=O)[C@@H]2CCc3ccccc3C2)CC1 ZINC000217203077 241241295 /nfs/dbraw/zinc/24/12/95/241241295.db2.gz BDFJHSCRIRUKRZ-GOSISDBHSA-N 0 0 338.455 1.869 50 70 EDIARN C[C@@H](O)c1cc2n(n1)CCCN(c1nc3ccccc3n1CCO)C2 ZINC000217211836 241242703 /nfs/dbraw/zinc/24/27/03/241242703.db2.gz IMIKRNBXZDPXIU-CYBMUJFWSA-N 0 0 341.415 1.689 50 70 EDIARN CC[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1ccnc(NC)c1)C2 ZINC000217493953 241252936 /nfs/dbraw/zinc/25/29/36/241252936.db2.gz TZVUMNJYRJFRKL-OAHLLOKOSA-N 0 0 329.404 1.809 50 70 EDIARN COC(=O)CS[C@H]1CCN(C(=O)c2ccc(C(=O)OC)cc2)C1 ZINC000217554591 241258477 /nfs/dbraw/zinc/25/84/77/241258477.db2.gz BYUJICLCYZLDOZ-ZDUSSCGKSA-N 0 0 337.397 1.594 50 70 EDIARN CCc1nc(C)ccc1OCC(=O)N1CCn2nc([C@H](C)O)cc2C1 ZINC000217968548 241288798 /nfs/dbraw/zinc/28/87/98/241288798.db2.gz RQCJAFKFYBSKLR-ZDUSSCGKSA-N 0 0 344.415 1.623 50 70 EDIARN CSc1ncc(C(=O)N[C@H]2CCCN(Cc3cccnc3)C2)cn1 ZINC000218056621 241293186 /nfs/dbraw/zinc/29/31/86/241293186.db2.gz IJNGMPKIXQHAFN-HNNXBMFYSA-N 0 0 343.456 1.988 50 70 EDIARN CC(C)CN1C[C@H](C(=O)NCCCc2nnc3ccccn32)CC1=O ZINC000218165664 241302058 /nfs/dbraw/zinc/30/20/58/241302058.db2.gz QLYLXHGLUWBYRS-CQSZACIVSA-N 0 0 343.431 1.283 50 70 EDIARN CSc1ccc(CC(=O)N2CCN(CCn3cncn3)CC2)cc1 ZINC000218331328 241315301 /nfs/dbraw/zinc/31/53/01/241315301.db2.gz GQGGKPOUGALORM-UHFFFAOYSA-N 0 0 345.472 1.387 50 70 EDIARN Cc1[nH][nH]c(=O)c1[C@H](CC(N)=O)c1coc2ccc(Cl)cc2c1=O ZINC000218362920 241317769 /nfs/dbraw/zinc/31/77/69/241317769.db2.gz QQTBLSHYUPPBRK-SECBINFHSA-N 0 0 347.758 1.779 50 70 EDIARN CCCOCC(=O)N1CCn2nc([C@@H](O)Cc3ccccc3)cc2C1 ZINC000218603417 241334524 /nfs/dbraw/zinc/33/45/24/241334524.db2.gz OLWPHHURSQVHSQ-SFHVURJKSA-N 0 0 343.427 1.928 50 70 EDIARN OC[C@H](O)c1cc2n(n1)CCN(Cc1c(F)cccc1Cl)C2 ZINC000218759230 241343280 /nfs/dbraw/zinc/34/32/80/241343280.db2.gz JNBTVLUTAFGHLB-HNNXBMFYSA-N 0 0 325.771 1.717 50 70 EDIARN CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)c1nccc2ccccc21 ZINC000160682270 206309084 /nfs/dbraw/zinc/30/90/84/206309084.db2.gz QOKCSOKQUHZFFQ-ZFWWWQNUSA-N 0 0 347.440 1.683 50 70 EDIARN Cn1cnc(-c2ccc(NC(=O)N[C@@H]3CCc4n[nH]cc4C3)cc2)n1 ZINC000161374198 441992351 /nfs/dbraw/zinc/99/23/51/441992351.db2.gz FIFWNNYIRZZJFU-CQSZACIVSA-N 0 0 337.387 1.884 50 70 EDIARN CC(=O)NCCOc1ccc(C(=O)N(C)CCc2ccncc2)cc1 ZINC000217695107 534439476 /nfs/dbraw/zinc/43/94/76/534439476.db2.gz YWDPYSYNOPITJJ-UHFFFAOYSA-N 0 0 341.411 1.911 50 70 EDIARN O=C(c1c[nH]c2ccccc12)N1Cc2cnc(N3CCOCC3)nc2C1 ZINC000217613992 241262446 /nfs/dbraw/zinc/26/24/46/241262446.db2.gz PYJCDHQISMKIED-UHFFFAOYSA-N 0 0 349.394 1.951 50 70 EDIARN COCCNC(=O)N1CCn2nc([C@H](O)c3ccccc3)cc2C1 ZINC000217772652 241275141 /nfs/dbraw/zinc/27/51/41/241275141.db2.gz AIRAPGNDKLUAFZ-MRXNPFEDSA-N 0 0 330.388 1.136 50 70 EDIARN CC[C@H](O)c1cc2n(n1)CCN(C(=O)CCc1nc(Cl)n[nH]1)C2 ZINC000217800959 241275242 /nfs/dbraw/zinc/27/52/42/241275242.db2.gz RRKGSFFLKFRGRI-NSHDSACASA-N 0 0 338.799 1.073 50 70 EDIARN COc1cc2c(cc1CN1CCn3nc([C@@H](O)CO)cc3C1)CCC2 ZINC000217019725 241230202 /nfs/dbraw/zinc/23/02/02/241230202.db2.gz YVOKUFVPRKZZKZ-SFHVURJKSA-N 0 0 343.427 1.422 50 70 EDIARN CO[C@@H]1CCOC[C@H]1NS(=O)(=O)c1cc2ccccc2s1 ZINC000217420335 241248564 /nfs/dbraw/zinc/24/85/64/241248564.db2.gz QLOURKYNRSLGKD-VXGBXAGGSA-N 0 0 327.427 1.984 50 70 EDIARN Cc1ccc2c(c1)c(C(=O)N1CCn3nc(CO)cc3C1)nn2C ZINC000217406906 241248781 /nfs/dbraw/zinc/24/87/81/241248781.db2.gz PGWKDXOXGPLSNL-UHFFFAOYSA-N 0 0 325.372 1.227 50 70 EDIARN COc1ccc(S(=O)(=O)NCC[C@H](O)c2cccn2C)c(C)c1 ZINC000217942690 241286053 /nfs/dbraw/zinc/28/60/53/241286053.db2.gz QVZOIYKASGOCMD-HNNXBMFYSA-N 0 0 338.429 1.744 50 70 EDIARN O=C(C(=O)N1CCCC[C@@H]1CCN1CCOCC1)c1cccnc1 ZINC000218026592 241292655 /nfs/dbraw/zinc/29/26/55/241292655.db2.gz PTAUEKJAHGEKQH-MRXNPFEDSA-N 0 0 331.416 1.368 50 70 EDIARN O=C(Cn1cnc2ccsc2c1=O)Nc1n[nH]c(C(F)(F)F)n1 ZINC000218222805 241308921 /nfs/dbraw/zinc/30/89/21/241308921.db2.gz WOGYBQPKWIGKCC-UHFFFAOYSA-N 0 0 344.278 1.234 50 70 EDIARN O=C(CCc1cnccn1)N[C@@H]1COCC[C@H]1Oc1ccccn1 ZINC000218611958 241335008 /nfs/dbraw/zinc/33/50/08/241335008.db2.gz QKAJWYBRPHNZIP-HUUCEWRRSA-N 0 0 328.372 1.157 50 70 EDIARN COc1cncc([C@@H](NC(=O)c2cc(C3CC3)n[nH]2)[C@H]2C[C@H](O)C2)c1 ZINC000218676071 241336270 /nfs/dbraw/zinc/33/62/70/241336270.db2.gz MBDCVAWDJPQJQG-PPHDSNJXSA-N 0 0 342.399 1.933 50 70 EDIARN CC[C@H](C)OCC(=O)N1CCC(C(=O)Nc2nncs2)CC1 ZINC000159474740 206248586 /nfs/dbraw/zinc/24/85/86/206248586.db2.gz BRTRSAHCHOHGAX-JTQLQIEISA-N 0 0 326.422 1.530 50 70 EDIARN Cc1cc(C[C@@H](C)NC(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)[nH]n1 ZINC000161484632 206351942 /nfs/dbraw/zinc/35/19/42/206351942.db2.gz SZAKRZHRTBTGNV-SNVBAGLBSA-N 0 0 343.387 1.826 50 70 EDIARN Cc1[nH]c2c(cccc2F)c1CC(=O)N1CCn2nc(CO)cc2C1 ZINC000217568587 241261200 /nfs/dbraw/zinc/26/12/00/241261200.db2.gz DYSHRSULQVJHBP-UHFFFAOYSA-N 0 0 342.374 1.889 50 70 EDIARN CCc1nnc(SCC(=O)NC[C@H]2OCCc3ccccc32)[nH]1 ZINC000216913279 241219287 /nfs/dbraw/zinc/21/92/87/241219287.db2.gz RVSCJLKEJVEKJG-CYBMUJFWSA-N 0 0 332.429 1.889 50 70 EDIARN COC(=O)CS[C@H]1CCN(C(=O)c2cccnc2SC)C1 ZINC000217553499 241257857 /nfs/dbraw/zinc/25/78/57/241257857.db2.gz YYTNUKGFJYJRCU-JTQLQIEISA-N 0 0 326.443 1.924 50 70 EDIARN O=C(CCOc1ccccc1)N1CCCn2nc([C@H](O)CO)cc2C1 ZINC000217534372 241258018 /nfs/dbraw/zinc/25/80/18/241258018.db2.gz HDMGPSKOZBZOPX-QGZVFWFLSA-N 0 0 345.399 1.110 50 70 EDIARN Cc1nn2cnnc2c(C)c1CCC(=O)N[C@H](CO)c1ccccc1 ZINC000218450069 241324640 /nfs/dbraw/zinc/32/46/40/241324640.db2.gz JUDCKAAOKXWRRQ-MRXNPFEDSA-N 0 0 339.399 1.524 50 70 EDIARN CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)C1CCN(C(C)=O)CC1 ZINC000218498106 241326749 /nfs/dbraw/zinc/32/67/49/241326749.db2.gz LVPMQXGZEPIOFY-SJORKVTESA-N 0 0 338.448 1.501 50 70 EDIARN COc1cccc2c1OCC(CN1CCn3nc(CO)cc3C1)=C2 ZINC000217902972 241283920 /nfs/dbraw/zinc/28/39/20/241283920.db2.gz ZTAAETALUQUBSE-UHFFFAOYSA-N 0 0 327.384 1.676 50 70 EDIARN O=C(NCCc1ccncc1)C1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000218118369 241300333 /nfs/dbraw/zinc/30/03/33/241300333.db2.gz REYJNNXWNMFZLW-MRXNPFEDSA-N 0 0 331.416 1.158 50 70 EDIARN COCCc1noc([C@H]2CCCN(C(=O)CCc3cccnc3)C2)n1 ZINC000218162059 241302599 /nfs/dbraw/zinc/30/25/99/241302599.db2.gz XRIJKWBIRSXRSQ-HNNXBMFYSA-N 0 0 344.415 1.992 50 70 EDIARN Cc1nc(SCC(=O)N(C)Cc2nc(-c3ccncc3)no2)n[nH]1 ZINC000218739559 241340851 /nfs/dbraw/zinc/34/08/51/241340851.db2.gz LSJIDMMJFFXEMH-UHFFFAOYSA-N 0 0 345.388 1.309 50 70 EDIARN O=C(NCc1ccnc(-n2cccn2)c1)N[C@@H]1CCc2n[nH]cc2C1 ZINC000159853285 206267250 /nfs/dbraw/zinc/26/72/50/206267250.db2.gz UUFKCPZJCRKCSY-CQSZACIVSA-N 0 0 337.387 1.347 50 70 EDIARN CN1C[C@@]2(CCN(C(=O)CC3=CSC4=NCCCN34)C2)OC1=O ZINC000217667249 241266862 /nfs/dbraw/zinc/26/68/62/241266862.db2.gz OHYOLLWEKAELHQ-OAHLLOKOSA-N 0 0 336.417 1.080 50 70 EDIARN CCCN1C(=O)N[C@@H](CC(=O)NCc2ccc3ccccc3n2)C1=O ZINC000217756203 241273096 /nfs/dbraw/zinc/27/30/96/241273096.db2.gz OCIOIHQOXCDHGC-HNNXBMFYSA-N 0 0 340.383 1.572 50 70 EDIARN O=C(CCN1CCCCCC1=O)N1CCOc2ccc(CO)cc2C1 ZINC000216954633 241227780 /nfs/dbraw/zinc/22/77/80/241227780.db2.gz BMTACDWBRMSUAF-UHFFFAOYSA-N 0 0 346.427 1.693 50 70 EDIARN C[C@@H](O)c1cc2n(n1)CCCN(C(=O)COCc1ccccc1)C2 ZINC000217545799 241257163 /nfs/dbraw/zinc/25/71/63/241257163.db2.gz LIWFKZWFRPARLR-CQSZACIVSA-N 0 0 329.400 1.886 50 70 EDIARN COc1ccc(CC(=O)NCC[C@@H](O)c2cccn2C)cc1OC ZINC000217936504 241285390 /nfs/dbraw/zinc/28/53/90/241285390.db2.gz VABMURDAUMOZDF-OAHLLOKOSA-N 0 0 332.400 1.825 50 70 EDIARN Cc1cc(F)ccc1S(=O)(=O)NCC[C@H](O)c1cccn1C ZINC000217941485 241285788 /nfs/dbraw/zinc/28/57/88/241285788.db2.gz MTSAAVRHWYCBLQ-AWEZNQCLSA-N 0 0 326.393 1.875 50 70 EDIARN CS(=O)(=O)N1CCC[C@H]1C(=O)N(Cc1nccs1)C1CC1 ZINC000218250804 241307431 /nfs/dbraw/zinc/30/74/31/241307431.db2.gz LPWJNFJMZXEKFJ-NSHDSACASA-N 0 0 329.447 1.058 50 70 EDIARN CN(CCO)CC(=O)N[C@@H](c1cnc2ccccc2c1)C1CC(O)C1 ZINC000218276996 241311341 /nfs/dbraw/zinc/31/13/41/241311341.db2.gz ZAXKVOAUXPTPPH-GSQSYGFSSA-N 0 0 343.427 1.087 50 70 EDIARN Cn1nccc1[C@@H](O)c1cc2n(n1)CCN(c1ncc(Cl)cn1)C2 ZINC000218271215 241311434 /nfs/dbraw/zinc/31/14/34/241311434.db2.gz BOOKMRCOJWDLMI-AWEZNQCLSA-N 0 0 345.794 1.162 50 70 EDIARN CCCc1nnsc1C(=O)N1CC[C@@H](SCC(=O)OC)C1 ZINC000217554047 535552218 /nfs/dbraw/zinc/55/22/18/535552218.db2.gz QWIRPGWJCFMNNT-SECBINFHSA-N 0 0 329.447 1.611 50 70 EDIARN COc1ccc(C(=O)N[C@@H](c2cnn(C)c2)C2CC(O)C2)cc1O ZINC000218028573 536757299 /nfs/dbraw/zinc/75/72/99/536757299.db2.gz RUGGMSYDQIDEGU-IJGSQOGDSA-N 0 0 331.372 1.376 50 70 EDIARN COc1ccc(C2(C(=O)N3CCn4nc(CO)cc4C3)CC2)cc1 ZINC000217185301 241237812 /nfs/dbraw/zinc/23/78/12/241237812.db2.gz SMUKTUVPOZWXTR-UHFFFAOYSA-N 0 0 327.384 1.458 50 70 EDIARN O=C(CCc1nc2ccccc2[nH]1)NCc1nnnn1-c1ccccc1 ZINC000217198040 241242740 /nfs/dbraw/zinc/24/27/40/241242740.db2.gz WZXVZJBUPFYNRY-UHFFFAOYSA-N 0 0 347.382 1.788 50 70 EDIARN O=C(Cn1ncc2ccccc21)NCCc1noc([C@@H]2CCCO2)n1 ZINC000217370358 241246119 /nfs/dbraw/zinc/24/61/19/241246119.db2.gz OKVCIQNUGPAHAR-AWEZNQCLSA-N 0 0 341.371 1.630 50 70 EDIARN COc1ccc(NC2=CC(=O)N(C(C)=O)C2)cc1NC(=O)C(C)C ZINC000218456611 241323981 /nfs/dbraw/zinc/32/39/81/241323981.db2.gz XQRVCUGAVSTXKH-UHFFFAOYSA-N 0 0 331.372 1.974 50 70 EDIARN Cc1ccc2[nH]c(CCNC(=O)CCCn3cncn3)nc2c1C ZINC000218073102 241296246 /nfs/dbraw/zinc/29/62/46/241296246.db2.gz BXHSWMWOKCBLKB-UHFFFAOYSA-N 0 0 326.404 1.910 50 70 EDIARN CSCC[C@@H](CO)NC(=O)Cc1c(C)nn(-c2ccccn2)c1C ZINC000218361549 241317524 /nfs/dbraw/zinc/31/75/24/241317524.db2.gz XVZPOEXMVAXWPT-AWEZNQCLSA-N 0 0 348.472 1.657 50 70 EDIARN O=C(NCCN1CCOCC1)c1cnc2cc(Cl)ccc2c1O ZINC000218371585 241317709 /nfs/dbraw/zinc/31/77/09/241317709.db2.gz SHGNGGITXVSXEU-UHFFFAOYSA-N 0 0 335.791 1.656 50 70 EDIARN O=C(Cc1nc2ccccc2[nH]1)N[C@@H]1CCOC[C@H]1OCC1CC1 ZINC000218583305 241332814 /nfs/dbraw/zinc/33/28/14/241332814.db2.gz VODZYQUJCACRGI-HZPDHXFCSA-N 0 0 329.400 1.806 50 70 EDIARN CN(C(=O)[C@H]1CSCN1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000159744541 441833205 /nfs/dbraw/zinc/83/32/05/441833205.db2.gz SQAQYZMUQGVMFH-DGCLKSJQSA-N 0 0 339.848 1.566 50 70 EDIARN COC(=O)CS[C@@H]1CCN(C(=O)c2ccc(C(=O)OC)cc2)C1 ZINC000217554507 241259211 /nfs/dbraw/zinc/25/92/11/241259211.db2.gz BYUJICLCYZLDOZ-CYBMUJFWSA-N 0 0 337.397 1.594 50 70 EDIARN CC(C)Oc1cc(N2CCCn3nc([C@H](C)O)cc3C2)nc(N)n1 ZINC000217689972 241267585 /nfs/dbraw/zinc/26/75/85/241267585.db2.gz UYDCASYMFNREIX-NSHDSACASA-N 0 0 332.408 1.506 50 70 EDIARN Cc1ccc(S(=O)(=O)N2CC(N3C(=O)CCC3=O)C2)cc1Cl ZINC000217717605 241271247 /nfs/dbraw/zinc/27/12/47/241271247.db2.gz VFHMBLSKARKBBB-UHFFFAOYSA-N 0 0 342.804 1.170 50 70 EDIARN CN(CC(=O)N1CCC[C@H](c2ccncn2)C1)Cc1cccnc1 ZINC000217133018 241235227 /nfs/dbraw/zinc/23/52/27/241235227.db2.gz KXNKMSAUEJTARR-INIZCTEOSA-N 0 0 325.416 1.710 50 70 EDIARN Cc1cc(N)n(CC(=O)N(C)Cc2cc(-c3ccncc3)no2)n1 ZINC000217380475 241247496 /nfs/dbraw/zinc/24/74/96/241247496.db2.gz PFPCNQGQMMVFDB-UHFFFAOYSA-N 0 0 326.360 1.482 50 70 EDIARN Cc1cc(C)n(C[C@@H]2CCCO2)c(=O)c1C(=O)NCc1ccccn1 ZINC000218461283 241324436 /nfs/dbraw/zinc/32/44/36/241324436.db2.gz MDDFKRIQKLXBAI-INIZCTEOSA-N 0 0 341.411 1.969 50 70 EDIARN CC1(C)C(=O)NCCN1CC(=O)NCCn1ccc2ccc(F)cc21 ZINC000218184582 241304105 /nfs/dbraw/zinc/30/41/05/241304105.db2.gz AASHWDRHRXNXSW-UHFFFAOYSA-N 0 0 346.406 1.107 50 70 EDIARN Cc1cc(C)nc(N[C@@H](Cc2ccccc2)C(=O)NCCCO)n1 ZINC000218250856 241307581 /nfs/dbraw/zinc/30/75/81/241307581.db2.gz DBSZEAAVVUIQBA-INIZCTEOSA-N 0 0 328.416 1.615 50 70 EDIARN COC(=O)c1sccc1Nc1c(=O)c(=O)c1N1CCSCC1 ZINC000218346425 241316074 /nfs/dbraw/zinc/31/60/74/241316074.db2.gz NWCZSLFMCIVCIN-UHFFFAOYSA-N 0 0 338.410 1.428 50 70 EDIARN COC[C@@H]1[C@H](NC(=O)c2cnc3ccc(F)cc3c2O)[C@@H]2CCO[C@H]12 ZINC000218581381 241332147 /nfs/dbraw/zinc/33/21/47/241332147.db2.gz BCSBOCOPOFRCPN-KVQMYJSTSA-N 0 0 346.358 1.859 50 70 EDIARN CN1C[C@H](CNC(=O)CCSCc2ccc(F)cc2)OCC1=O ZINC000218595864 241332288 /nfs/dbraw/zinc/33/22/88/241332288.db2.gz UYCHZGZYONENFE-AWEZNQCLSA-N 0 0 340.420 1.422 50 70 EDIARN CC(C)C[C@H](NC(=O)c1nc2ccccc2[nH]c1=O)c1ncnn1C ZINC000218756227 241343912 /nfs/dbraw/zinc/34/39/12/241343912.db2.gz VSBGKQLMKKYXOB-ZDUSSCGKSA-N 0 0 340.387 1.569 50 70 EDIARN COC(=O)C[C@@H](c1oc(CN2CCOCC2)cc(=O)c1O)C(C)C ZINC000217610511 536313618 /nfs/dbraw/zinc/31/36/18/536313618.db2.gz AYDBWANNIVIPSA-CYBMUJFWSA-N 0 0 339.388 1.480 50 70 EDIARN Cn1cccc(C(=O)N2CCC[C@H](Cc3nc(C4CC4)no3)C2)c1=O ZINC000217805676 241275327 /nfs/dbraw/zinc/27/53/27/241275327.db2.gz IMIIBIYGWPFHCV-GFCCVEGCSA-N 0 0 342.399 1.741 50 70 EDIARN O=C1CCCN1c1ccc(CN2CCCn3nc(CO)cc3C2)cc1 ZINC000216923873 241223823 /nfs/dbraw/zinc/22/38/23/241223823.db2.gz QMDOAESCLZYUKF-UHFFFAOYSA-N 0 0 340.427 1.908 50 70 EDIARN OC[C@H](O)c1cc2n(n1)CCCN(c1nc3ccccc3s1)C2 ZINC000216981615 241230976 /nfs/dbraw/zinc/23/09/76/241230976.db2.gz CTLRDEDCNPEWTO-AWEZNQCLSA-N 0 0 330.413 1.929 50 70 EDIARN O=C(Cc1cnccn1)N1CCn2nc([C@@H](O)c3ccccc3)cc2C1 ZINC000217135122 241237058 /nfs/dbraw/zinc/23/70/58/241237058.db2.gz LXNUEXAZCTUOGB-IBGZPJMESA-N 0 0 349.394 1.340 50 70 EDIARN Cc1ccc(CNC(=O)c2cn(C[C@H](O)c3ccccc3F)nn2)o1 ZINC000217475838 241252914 /nfs/dbraw/zinc/25/29/14/241252914.db2.gz AKAVNTVCVFJJAF-INIZCTEOSA-N 0 0 344.346 1.982 50 70 EDIARN COCCCn1c(C)cc(C)c(C(=O)NCCn2ccnc2)c1=O ZINC000218441584 241322523 /nfs/dbraw/zinc/32/25/23/241322523.db2.gz NPBUFRNPYAOKGF-UHFFFAOYSA-N 0 0 332.404 1.128 50 70 EDIARN CC(C)c1nnc(NC(=O)COc2ccc3c(c2)NC(=O)CC3)[nH]1 ZINC000218449241 241324944 /nfs/dbraw/zinc/32/49/44/241324944.db2.gz HNEVIYMXDXSIOO-UHFFFAOYSA-N 0 0 329.360 1.830 50 70 EDIARN CC[C@@H](NC(=O)Cc1c[nH]c(=O)[nH]c1=O)c1nc2cc(C)ccc2[nH]1 ZINC000217895763 241281920 /nfs/dbraw/zinc/28/19/20/241281920.db2.gz KKCRAHXXUUOTIS-LLVKDONJSA-N 0 0 341.371 1.058 50 70 EDIARN Cn1cnc(S(=O)(=O)N[C@@H]2[C@@H](Cc3ccccc3)[C@H]3OCC[C@@H]23)c1 ZINC000218269668 241311147 /nfs/dbraw/zinc/31/11/47/241311147.db2.gz ISPSYMAOERFPDD-FSDCSDTHSA-N 0 0 347.440 1.345 50 70 EDIARN Cn1nccc1[C@H](O)c1cc2n(n1)CCN(C(=O)CC1=CCCC1)C2 ZINC000218307260 241312178 /nfs/dbraw/zinc/31/21/78/241312178.db2.gz RNTWTKHXKIQASV-GOSISDBHSA-N 0 0 341.415 1.541 50 70 EDIARN O=C(CCCn1cccn1)N[C@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1 ZINC000218287721 241313222 /nfs/dbraw/zinc/31/32/22/241313222.db2.gz OIBSOKSALZPYTP-DJIMGWMZSA-N 0 0 328.416 1.557 50 70 EDIARN Cn1cc([C@@H](NC(=O)C2(Cn3cccn3)CC2)[C@H]2C[C@@H](O)C2)cn1 ZINC000218603685 241335497 /nfs/dbraw/zinc/33/54/97/241335497.db2.gz CAUUOELLRTTYAX-QEJZJMRPSA-N 0 0 329.404 1.025 50 70 EDIARN NC(=O)c1ccc(-c2nc3c([nH]2)CCN(C(=O)[C@H]2CCCO2)C3)cc1 ZINC000218680247 241338084 /nfs/dbraw/zinc/33/80/84/241338084.db2.gz XNAOWNRPEKOOHU-OAHLLOKOSA-N 0 0 340.383 1.239 50 70 EDIARN CCN1C[C@@H](CN(C)C(=O)c2cc(CC(C)C)nc(N)n2)CC1=O ZINC000217180759 241239148 /nfs/dbraw/zinc/23/91/48/241239148.db2.gz WJAZOOVBDCZUNE-GFCCVEGCSA-N 0 0 333.436 1.198 50 70 EDIARN Cc1nc(N2CCCn3nc([C@@H](O)CO)cc3C2)nc2c1CCCC2 ZINC000217371449 241246685 /nfs/dbraw/zinc/24/66/85/241246685.db2.gz UCLCFTHFKVGNMZ-KRWDZBQOSA-N 0 0 343.431 1.296 50 70 EDIARN CC[C@H](O)c1cc2n(n1)CCN(Cc1cnc(N3CCCC3)nc1)C2 ZINC000217408804 241247826 /nfs/dbraw/zinc/24/78/26/241247826.db2.gz NMZFBVZZQDWUDJ-KRWDZBQOSA-N 0 0 342.447 1.733 50 70 EDIARN O=C(COc1cccnc1)NC[C@@H]1CCCN(c2ncccn2)C1 ZINC000218467770 241324451 /nfs/dbraw/zinc/32/44/51/241324451.db2.gz YZHGZAMGHKOWAA-AWEZNQCLSA-N 0 0 327.388 1.283 50 70 EDIARN COCc1noc(CNC(=O)c2cc(=O)[nH]c3ccc(F)cc32)n1 ZINC000218449010 241324843 /nfs/dbraw/zinc/32/48/43/241324843.db2.gz RWDOYMKNCKWJDP-UHFFFAOYSA-N 0 0 332.291 1.127 50 70 EDIARN CN(CC(=O)N1CCCO[C@@H](Cn2cccn2)C1)Cc1ccncc1 ZINC000217933053 241286222 /nfs/dbraw/zinc/28/62/22/241286222.db2.gz MTZRZJQFJCWEDO-QGZVFWFLSA-N 0 0 343.431 1.028 50 70 EDIARN Cn1nc(C(N)=O)c2c1CCN(C(=O)CCCOc1ccccc1)C2 ZINC000218029112 241291304 /nfs/dbraw/zinc/29/13/04/241291304.db2.gz XKCGVDCWRRGLES-UHFFFAOYSA-N 0 0 342.399 1.263 50 70 EDIARN COc1ccc(N2C(=O)N[C@@H](CC(=O)NCCC(C)C)C2=O)cc1 ZINC000218569596 241333164 /nfs/dbraw/zinc/33/31/64/241333164.db2.gz LHYSRLNLFJSQLJ-AWEZNQCLSA-N 0 0 333.388 1.672 50 70 EDIARN CC(C)c1cc(C(=O)N[C@@H](c2cnn(C)c2)C2CC(O)C2)n(C)n1 ZINC000218615001 535367781 /nfs/dbraw/zinc/36/77/81/535367781.db2.gz KCWZDIIXZBTWET-IJGSQOGDSA-N 0 0 331.420 1.519 50 70 EDIARN COc1cc(C(=O)N[C@@H]2COCC[C@H]2OCc2ccccn2)ccn1 ZINC000218394022 536509456 /nfs/dbraw/zinc/50/94/56/536509456.db2.gz SAXUPXAPLPVIQM-HZPDHXFCSA-N 0 0 343.383 1.589 50 70 EDIARN O=C(N[C@@H]1CCOC2(CCCCC2)C1)c1cnc2n(c1=O)CCS2 ZINC000161477715 295765510 /nfs/dbraw/zinc/76/55/10/295765510.db2.gz JOKSTIKRUWAMQV-GFCCVEGCSA-N 0 0 349.456 1.961 50 70 EDIARN Cn1nc(C(=O)N2CCC[C@H](c3ccncn3)C2)c2ccccc2c1=O ZINC000217741908 241272926 /nfs/dbraw/zinc/27/29/26/241272926.db2.gz WKHNHKTXLZNSBW-ZDUSSCGKSA-N 0 0 349.394 1.743 50 70 EDIARN O=C(c1ccccc1N1CCOCC1)N1CCC[C@H](c2nnc[nH]2)C1 ZINC000217038535 241233169 /nfs/dbraw/zinc/23/31/69/241233169.db2.gz MJYSTLDBHIUBMA-AWEZNQCLSA-N 0 0 341.415 1.661 50 70 EDIARN O=C(c1cc(-c2ccsc2)n[nH]1)N1CCC[C@@]2(CNC(=O)O2)C1 ZINC000217126986 241235075 /nfs/dbraw/zinc/23/50/75/241235075.db2.gz BBCXXZFELWHXKT-OAHLLOKOSA-N 0 0 332.385 1.853 50 70 EDIARN CCc1ccc(CN(C)C(=O)[C@H](Cc2c[nH]cn2)NC(C)=O)nc1 ZINC000218499790 241327446 /nfs/dbraw/zinc/32/74/46/241327446.db2.gz RCLLEQFQYOFWCO-INIZCTEOSA-N 0 0 329.404 1.073 50 70 EDIARN O=C(C(=O)N1CCCC[C@H]1CCN1CCOCC1)c1cccnc1 ZINC000218026666 241292519 /nfs/dbraw/zinc/29/25/19/241292519.db2.gz PTAUEKJAHGEKQH-INIZCTEOSA-N 0 0 331.416 1.368 50 70 EDIARN O=C(N[C@@H]1CCOC[C@H]1OCc1ccccc1)c1ccc(CO)o1 ZINC000218653866 241336924 /nfs/dbraw/zinc/33/69/24/241336924.db2.gz REIDGIYFQSCQNW-NVXWUHKLSA-N 0 0 331.368 1.876 50 70 EDIARN O=C(N[C@H]1C[C@H](c2cc(N3CC[C@H](O)C3)ncn2)C1)c1ccco1 ZINC000218732327 241341219 /nfs/dbraw/zinc/34/12/19/241341219.db2.gz SEWJXRATPCJODP-XQQFMLRXSA-N 0 0 328.372 1.317 50 70 EDIARN CN(C)C(=O)C[C@@H](O)c1cc2n(n1)CCN(Cc1cccs1)C2 ZINC000218549684 536077746 /nfs/dbraw/zinc/07/77/46/536077746.db2.gz XNENESVNBZSFSO-OAHLLOKOSA-N 0 0 334.445 1.472 50 70 EDIARN Cc1cc(N)n(CC(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)n1 ZINC000217579152 241260404 /nfs/dbraw/zinc/26/04/04/241260404.db2.gz BZMLJRUKJVFHEO-LBPRGKRZSA-N 0 0 325.376 1.232 50 70 EDIARN O=C(C[C@@H]1C=CS(=O)(=O)C1)NCc1cnn(Cc2ccccc2)c1 ZINC000217000813 241230392 /nfs/dbraw/zinc/23/03/92/241230392.db2.gz KQLWYPUMCWUPMD-HNNXBMFYSA-N 0 0 345.424 1.496 50 70 EDIARN CN1C[C@]2(CCCN(C(=O)Cn3ncc4ccccc43)C2)OC1=O ZINC000217372491 241246728 /nfs/dbraw/zinc/24/67/28/241246728.db2.gz FQNSIDYWVPMLGV-KRWDZBQOSA-N 0 0 328.372 1.480 50 70 EDIARN CO[C@@H]1CCOC[C@H]1NC(=O)c1ccc(CSc2nc[nH]n2)o1 ZINC000218437010 241321110 /nfs/dbraw/zinc/32/11/10/241321110.db2.gz VIBSABMARPMMNJ-GHMZBOCLSA-N 0 0 338.389 1.224 50 70 EDIARN O=C(COc1cccnc1)NC[C@H]1CCCN(c2ncccn2)C1 ZINC000218467854 241324773 /nfs/dbraw/zinc/32/47/73/241324773.db2.gz YZHGZAMGHKOWAA-CQSZACIVSA-N 0 0 327.388 1.283 50 70 EDIARN O=C(CCN1CCCCCC1=O)N1CCC(c2ccncn2)CC1 ZINC000217853618 241280090 /nfs/dbraw/zinc/28/00/90/241280090.db2.gz LFDZBHQKDUXKIB-UHFFFAOYSA-N 0 0 330.432 1.975 50 70 EDIARN Cc1nnc([C@@H]2CCCN2C(=O)CN2CCOc3ccccc3C2)[nH]1 ZINC000217903109 241282978 /nfs/dbraw/zinc/28/29/78/241282978.db2.gz DWGRZEAFCYDQRF-HNNXBMFYSA-N 0 0 341.415 1.671 50 70 EDIARN COCCn1c(C)cc(C)c(C(=O)Nc2ccc(OC)nc2)c1=O ZINC000218165460 241302038 /nfs/dbraw/zinc/30/20/38/241302038.db2.gz GMRUWXUDHSVADQ-UHFFFAOYSA-N 0 0 331.372 1.767 50 70 EDIARN Cc1[nH]c2c3ccccc3nn2c(=O)c1CCC(=O)Nc1nc[nH]n1 ZINC000218560839 241330174 /nfs/dbraw/zinc/33/01/74/241330174.db2.gz YWHGLCYIBQJMQF-UHFFFAOYSA-N 0 0 337.343 1.174 50 70 EDIARN Cc1cc(F)ccc1S(=O)(=O)N[C@@H]1COCC[C@@H]1OCC1CC1 ZINC000218234635 241307112 /nfs/dbraw/zinc/30/71/12/241307112.db2.gz SYWLHZQEGOUVLL-CABCVRRESA-N 0 0 343.420 1.997 50 70 EDIARN COc1ccc(C(=O)N[C@H](CO)CCSC)cc1-n1cccn1 ZINC000218315462 241313119 /nfs/dbraw/zinc/31/31/19/241313119.db2.gz GXNNHCQDVBJXCS-ZDUSSCGKSA-N 0 0 335.429 1.725 50 70 EDIARN O=C(c1ccccc1N1CCCC1)N1CCN(Cc2nc[nH]n2)CC1 ZINC000217561730 241258932 /nfs/dbraw/zinc/25/89/32/241258932.db2.gz RHOYKNWVDCELTF-UHFFFAOYSA-N 0 0 340.431 1.363 50 70 EDIARN O=C(/C=C/c1ccco1)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 ZINC000217719769 241270136 /nfs/dbraw/zinc/27/01/36/241270136.db2.gz BDDAIWFTHRPLMJ-JSMHICHCSA-N 0 0 326.352 1.455 50 70 EDIARN CCOc1ccc(C(=O)NC[C@H](c2cccnc2)N2CCOCC2)o1 ZINC000217767342 241274923 /nfs/dbraw/zinc/27/49/23/241274923.db2.gz TYLBALKLHSBABP-OAHLLOKOSA-N 0 0 345.399 1.877 50 70 EDIARN Cc1cc(C)n(CC2CC2)c(=O)c1C(=O)NCCNc1ncccn1 ZINC000218483140 241326079 /nfs/dbraw/zinc/32/60/79/241326079.db2.gz CGSUOHLHTIXRMZ-UHFFFAOYSA-N 0 0 341.415 1.507 50 70 EDIARN O=C(N[C@@H]1CCOC[C@H]1OCc1ccccn1)c1ccncc1F ZINC000218061942 241293864 /nfs/dbraw/zinc/29/38/64/241293864.db2.gz SCZZUZMYCYQQLH-HZPDHXFCSA-N 0 0 331.347 1.720 50 70 EDIARN CC(C)c1nnc(NC(=O)CCCc2nnc3ccc(Cl)nn32)[nH]1 ZINC000218206409 241305887 /nfs/dbraw/zinc/30/58/87/241305887.db2.gz IYYNMBPKWZFLMP-UHFFFAOYSA-N 0 0 348.798 1.981 50 70 EDIARN CC(=O)c1c(C)nn(CC(=O)NCCCn2c(C)cccc2=O)c1C ZINC000218554878 241330980 /nfs/dbraw/zinc/33/09/80/241330980.db2.gz NCBBBUPNPSKADJ-UHFFFAOYSA-N 0 0 344.415 1.379 50 70 EDIARN CC(=O)N1CC(Nc2ccc3ncn(C(C)C)c(=O)c3c2)=CC1=O ZINC000218534472 241331196 /nfs/dbraw/zinc/33/11/96/241331196.db2.gz DBXOOPQHFAKQKM-UHFFFAOYSA-N 0 0 326.356 1.662 50 70 EDIARN O=C(CN1CCc2ccccc2C1)N[C@@H]1CCOC[C@H]1OCC1CC1 ZINC000218706498 241338222 /nfs/dbraw/zinc/33/82/22/241338222.db2.gz MVFUPJUEKWUPSH-RTBURBONSA-N 0 0 344.455 1.745 50 70 EDIARN Cn1nccc1[C@H](O)c1cc2n(n1)CCN(C1Cc3ccccc3C1)C2 ZINC000218367035 443057872 /nfs/dbraw/zinc/05/78/72/443057872.db2.gz IEJWKNCNHDUYSV-HXUWFJFHSA-N 0 0 349.438 1.681 50 70 EDIARN CCN1Cc2ccccc2C[C@@H]1C(=O)NCc1cnc2cnccn12 ZINC000217216006 535784677 /nfs/dbraw/zinc/78/46/77/535784677.db2.gz BDKKWGWDHNIGFM-QGZVFWFLSA-N 0 0 335.411 1.792 50 70 EDIARN CN(C)S(=O)(=O)NCCn1nc(-c2ccsc2)cc1C1CC1 ZINC000217882106 536097565 /nfs/dbraw/zinc/09/75/65/536097565.db2.gz YSTDFCXZULRWGY-UHFFFAOYSA-N 0 0 340.474 1.885 50 70 EDIARN CN(Cc1sc2ccccc2c1Cl)C(=O)Cn1nnnc1N ZINC000216980627 536487541 /nfs/dbraw/zinc/48/75/41/536487541.db2.gz ROGDFMFFINEWBJ-UHFFFAOYSA-N 0 0 336.808 1.782 50 70 EDIARN O=C(Cc1ccc(F)cc1)N1CC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 ZINC000217720410 241269611 /nfs/dbraw/zinc/26/96/11/241269611.db2.gz RBKGVQACQJVLED-HZPDHXFCSA-N 0 0 342.370 1.530 50 70 EDIARN Cc1cccc(=O)n1CCCNC(=O)Cc1ccc(N(C)C)cc1 ZINC000217007389 241229354 /nfs/dbraw/zinc/22/93/54/241229354.db2.gz WTNLXDJJEHQKOO-UHFFFAOYSA-N 0 0 327.428 1.972 50 70 EDIARN COc1cc2c(cc1CN1CCn3nc([C@H](O)CO)cc3C1)CCC2 ZINC000217019770 241231037 /nfs/dbraw/zinc/23/10/37/241231037.db2.gz YVOKUFVPRKZZKZ-GOSISDBHSA-N 0 0 343.427 1.422 50 70 EDIARN CC(=O)c1[nH]c(C)c(C(=O)N2Cc3nc(C)n(C)c(=O)c3C2)c1C ZINC000217840243 241277358 /nfs/dbraw/zinc/27/73/58/241277358.db2.gz QRYVUBDGEPMDQY-UHFFFAOYSA-N 0 0 328.372 1.392 50 70 EDIARN COc1ccc(F)cc1S(=O)(=O)NCC[C@H](O)c1cccn1C ZINC000217942966 241286118 /nfs/dbraw/zinc/28/61/18/241286118.db2.gz ZJVKYWGCITXHAG-ZDUSSCGKSA-N 0 0 342.392 1.575 50 70 EDIARN Cn1cc([C@@H](NC(=O)c2cnc3ccccc3n2)C2CC(O)C2)cn1 ZINC000218040682 241293511 /nfs/dbraw/zinc/29/35/11/241293511.db2.gz RVLVINUBJCVJRQ-YUNLISADSA-N 0 0 337.383 1.605 50 70 EDIARN Cc1cc(C)n(CCNC(=O)[C@H]2Cc3cc(Cl)ccc3N2)c(=O)n1 ZINC000218119482 241299574 /nfs/dbraw/zinc/29/95/74/241299574.db2.gz RWMMFJZQPOKXRX-OAHLLOKOSA-N 0 0 346.818 1.667 50 70 EDIARN CC(C)=CCO[C@@H]1COCC[C@H]1NC(=O)C1(Cn2cccn2)CC1 ZINC000218292183 241313082 /nfs/dbraw/zinc/31/30/82/241313082.db2.gz OOTNVIDCYPWOLV-HZPDHXFCSA-N 0 0 333.432 1.920 50 70 EDIARN COc1cccc(SCC(=O)NCC2(CO)CCOCC2)c1 ZINC000218764540 241343499 /nfs/dbraw/zinc/34/34/99/241343499.db2.gz MVTXVHLXYVKHFU-UHFFFAOYSA-N 0 0 325.430 1.693 50 70 EDIARN CCn1cnnc1[C@@H]1CCCN([C@@H](C)C(=O)NC[C@@H]2CCCO2)C1 ZINC000161416162 441996828 /nfs/dbraw/zinc/99/68/28/441996828.db2.gz CDWZQKNIVWNSOR-ZNMIVQPWSA-N 0 0 335.452 1.161 50 70 EDIARN CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@H]2c1ccc(O)cc1 ZINC000217888896 443057279 /nfs/dbraw/zinc/05/72/79/443057279.db2.gz UALUXTLIQFWZJA-NSHDSACASA-N 0 0 329.308 1.698 50 70 EDIARN COc1ccc(C(=O)N2CCCO[C@@H](Cn3cccn3)C2)c(OC)n1 ZINC000217775751 241275430 /nfs/dbraw/zinc/27/54/30/241275430.db2.gz VLJMRRJAAORYDH-CYBMUJFWSA-N 0 0 346.387 1.227 50 70 EDIARN Cc1nnc(CN2CCn3nc([C@@H](O)c4ccccc4)cc3C2)o1 ZINC000217024575 241234417 /nfs/dbraw/zinc/23/44/17/241234417.db2.gz FVVBCCNSNQNWSY-KRWDZBQOSA-N 0 0 325.372 1.672 50 70 EDIARN CCc1nc(C)ccc1OCC(=O)N1Cc2nc(C)n(C)c(=O)c2C1 ZINC000217171176 241237543 /nfs/dbraw/zinc/23/75/43/241237543.db2.gz VNDOHVYXPLLYFL-UHFFFAOYSA-N 0 0 342.399 1.276 50 70 EDIARN O=S(=O)(NCC[C@@H](O)C1CCOCC1)c1cc(F)cc(F)c1 ZINC000217923790 241284453 /nfs/dbraw/zinc/28/44/53/241284453.db2.gz OTWHTSPNHGQBEA-CQSZACIVSA-N 0 0 335.372 1.421 50 70 EDIARN O=C(CCc1cccnc1)N[C@@H]1CCOC[C@H]1OCc1cscn1 ZINC000218283230 241311009 /nfs/dbraw/zinc/31/10/09/241311009.db2.gz YXFIJCJOISDKTJ-HZPDHXFCSA-N 0 0 347.440 1.961 50 70 EDIARN CCn1cc(C(=O)N[C@H](CO)CCSC)c(=O)c2ccc(C)nc21 ZINC000218365607 241317102 /nfs/dbraw/zinc/31/71/02/241317102.db2.gz CNLRRONSEZGTDN-LBPRGKRZSA-N 0 0 349.456 1.569 50 70 EDIARN Cc1c(CNC(=O)NCC(=O)N2CCCc3ccccc32)cnn1C ZINC000160554052 258070481 /nfs/dbraw/zinc/07/04/81/258070481.db2.gz MMQRLYXJNCHRHS-UHFFFAOYSA-N 0 0 341.415 1.507 50 70 EDIARN O=C1CSC(=O)N1C1CN(S(=O)(=O)c2ccccc2Cl)C1 ZINC000217749051 241272470 /nfs/dbraw/zinc/27/24/70/241272470.db2.gz DBMVVMDKASMVJP-UHFFFAOYSA-N 0 0 346.817 1.408 50 70 EDIARN O=C(c1ccc2cc[nH]c2c1)N1CC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 ZINC000217730301 241273623 /nfs/dbraw/zinc/27/36/23/241273623.db2.gz LCUJVJRWZSPTQV-HZPDHXFCSA-N 0 0 349.390 1.944 50 70 EDIARN O=C(c1nccs1)c1cccnc1N1CCn2nc(CO)cc2C1 ZINC000217809148 241277059 /nfs/dbraw/zinc/27/70/59/241277059.db2.gz BZQDILWOOFGNBU-UHFFFAOYSA-N 0 0 341.396 1.478 50 70 EDIARN Cc1cccc([C@H](C(=O)NCCCn2ccccc2=O)N(C)C)c1 ZINC000217518005 241255587 /nfs/dbraw/zinc/25/55/87/241255587.db2.gz IXCHNASGSXKCSR-GOSISDBHSA-N 0 0 327.428 1.966 50 70 EDIARN O=C(NCC[C@H](O)c1ccsc1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000217542463 241256573 /nfs/dbraw/zinc/25/65/73/241256573.db2.gz RJMCMYOTNYQIAF-LBPRGKRZSA-N 0 0 348.380 1.655 50 70 EDIARN Nc1nc(CCNC(=O)CN2CCOc3ccccc3C2)cs1 ZINC000218468671 241324177 /nfs/dbraw/zinc/32/41/77/241324177.db2.gz NSZHLJVJCCCZEY-UHFFFAOYSA-N 0 0 332.429 1.279 50 70 EDIARN O=C(NCc1ccco1)N[C@@H]1COCC[C@@H]1OCc1cscn1 ZINC000218251867 241309158 /nfs/dbraw/zinc/30/91/58/241309158.db2.gz WVGDTHJPCUTXCL-KGLIPLIRSA-N 0 0 337.401 1.910 50 70 EDIARN Cn1nnc(-c2ccc(OCC(=O)N3CCc4ccccc4C3)cc2)n1 ZINC000218335042 241316279 /nfs/dbraw/zinc/31/62/79/241316279.db2.gz BKMUHAFEIVPCOK-UHFFFAOYSA-N 0 0 349.394 1.841 50 70 EDIARN CC[C@H](C(=O)NCc1nnc(-c2ccccc2)[nH]1)N1CCOCC1 ZINC000218379073 241317898 /nfs/dbraw/zinc/31/78/98/241317898.db2.gz PUOYLQPZKWFAOK-CQSZACIVSA-N 0 0 329.404 1.199 50 70 EDIARN O=C(N[C@H]1C[C@@H](c2cc(N3CC[C@@H](O)C3)ncn2)C1)c1ccoc1 ZINC000218609497 241334177 /nfs/dbraw/zinc/33/41/77/241334177.db2.gz MVIKXUJZKOCZQJ-MGPQQGTHSA-N 0 0 328.372 1.317 50 70 EDIARN CC(C)c1cc(C(=O)N2CCCC[C@@H]2CN2CCOCC2)nc(N)n1 ZINC000217795365 280569715 /nfs/dbraw/zinc/56/97/15/280569715.db2.gz CPILRNAZKSLVFZ-CQSZACIVSA-N 0 0 347.463 1.509 50 70 EDIARN COc1nc2ccccc2nc1CCC(=O)N[C@@H]1C[C@@H]2OCC[C@H]12 ZINC000216936567 537134948 /nfs/dbraw/zinc/13/49/48/537134948.db2.gz BHXXOSPSXIXYNN-LYRGGWFBSA-N 0 0 327.384 1.865 50 70 EDIARN O=c1cc(N2CCCn3nc([C@@H](O)c4ccccc4)cc3C2)nc[nH]1 ZINC000217155059 241237896 /nfs/dbraw/zinc/23/78/96/241237896.db2.gz NEDVJYRLTAMWQY-SFHVURJKSA-N 0 0 337.383 1.871 50 70 EDIARN COc1ccc(C(=O)NCCn2cc(-c3nc(C)no3)nn2)cc1F ZINC000217467081 241252853 /nfs/dbraw/zinc/25/28/53/241252853.db2.gz RIMMBFFQMNDDSY-UHFFFAOYSA-N 0 0 346.322 1.214 50 70 EDIARN CN(CC(=O)NCCc1noc([C@@H]2CCCO2)n1)Cc1ccncc1 ZINC000217553941 241257296 /nfs/dbraw/zinc/25/72/96/241257296.db2.gz NKXGZLFVKBJTNB-AWEZNQCLSA-N 0 0 345.403 1.107 50 70 EDIARN COc1cc2c(cc1OC)-c1n[nH]c(C(=O)N[C@H](CO)C(C)C)c1C2 ZINC000218470735 241324008 /nfs/dbraw/zinc/32/40/08/241324008.db2.gz KTZFDNIMEAKAKX-CYBMUJFWSA-N 0 0 345.399 1.745 50 70 EDIARN CSc1ncc(C(=O)N2CCC[C@H](CN3CCOCC3)C2)cn1 ZINC000218171016 241303818 /nfs/dbraw/zinc/30/38/18/241303818.db2.gz HIPHWBZHSWWXKG-CYBMUJFWSA-N 0 0 336.461 1.383 50 70 EDIARN CN1CC2(CCN(C(=O)CCc3ccc4c(c3)OCO4)CC2)OC1=O ZINC000218719419 241340693 /nfs/dbraw/zinc/34/06/93/241340693.db2.gz JIEYJPSGYNLGPJ-UHFFFAOYSA-N 0 0 346.383 1.791 50 70 EDIARN COc1cncc([C@@H](NC(=O)c2cc(C3CC3)n[nH]2)[C@H]2C[C@@H](O)C2)c1 ZINC000218762020 241343508 /nfs/dbraw/zinc/34/35/08/241343508.db2.gz MBDCVAWDJPQJQG-BNLOLNQZSA-N 0 0 342.399 1.933 50 70 EDIARN CC(C)c1cc([C@@H]2CCCN2C(=O)c2c[nH]nc2-n2cnnn2)no1 ZINC000218295816 280585696 /nfs/dbraw/zinc/58/56/96/280585696.db2.gz RYFGVPPQIVPYCS-LBPRGKRZSA-N 0 0 342.363 1.474 50 70 EDIARN CC(=O)N1CCN(C(=O)[C@H](C)n2nc(C3CC3)nc2C2CC2)CC1 ZINC000161479470 442004507 /nfs/dbraw/zinc/00/45/07/442004507.db2.gz ORJHHRMVQZDVBR-NSHDSACASA-N 0 0 331.420 1.285 50 70 EDIARN Cc1nnc([C@H]2CCCN2C(=O)C2(N3CCOCC3)CCCCC2)[nH]1 ZINC000217143185 241239076 /nfs/dbraw/zinc/23/90/76/241239076.db2.gz SGVGNBUPIWSWBN-OAHLLOKOSA-N 0 0 347.463 1.812 50 70 EDIARN Cn1nc(CN(Cc2ccco2)C(=O)N2CCOCC2)c2c1CCC2 ZINC000217906275 241283442 /nfs/dbraw/zinc/28/34/42/241283442.db2.gz KZBHLYKGHNRQMX-UHFFFAOYSA-N 0 0 344.415 1.956 50 70 EDIARN Cc1ccccc1[C@@H](C(=O)N1CCC2(CCC(=O)N2)CC1)N(C)C ZINC000217200105 485744407 /nfs/dbraw/zinc/74/44/07/485744407.db2.gz DUABOCISSTYKIA-KRWDZBQOSA-N 0 0 329.444 1.869 50 70 EDIARN O=C(CCn1ccc(=O)[nH]c1=O)N1CCCC[C@@H](c2ccccc2)C1 ZINC000217287198 486112282 /nfs/dbraw/zinc/11/22/82/486112282.db2.gz MFBKRHSCKFOEKX-MRXNPFEDSA-N 0 0 341.411 1.723 50 70 EDIARN COC(=O)[C@H](CCSC)NC(=O)c1cn(C)c(=O)c2ccccc12 ZINC000217627974 536664403 /nfs/dbraw/zinc/66/44/03/536664403.db2.gz HVWXEYRIRMJTGR-AWEZNQCLSA-N 0 0 348.424 1.563 50 70 EDIARN CC[C@@H](C)OCC(=O)N1CCC(C(=O)Nc2nncs2)CC1 ZINC000159474619 529375986 /nfs/dbraw/zinc/37/59/86/529375986.db2.gz BRTRSAHCHOHGAX-SNVBAGLBSA-N 0 0 326.422 1.530 50 70 EDIARN CSCc1ccc(C(=O)N2CCCN(CC(=O)N(C)C)CC2)o1 ZINC000217495892 241252703 /nfs/dbraw/zinc/25/27/03/241252703.db2.gz XIZCXYODVGSYTF-UHFFFAOYSA-N 0 0 339.461 1.379 50 70 EDIARN COc1ccc(NC2=CC(=O)N(C(C)=O)C2)cc1-c1nnc(C)o1 ZINC000218469832 241325016 /nfs/dbraw/zinc/32/50/16/241325016.db2.gz CGYSUHMOSGRXKV-UHFFFAOYSA-N 0 0 328.328 1.738 50 70 EDIARN Cc1cc(-c2cccs2)nn1CCNC(=O)c1ccc(=O)n(C)n1 ZINC000217872785 241280794 /nfs/dbraw/zinc/28/07/94/241280794.db2.gz JYGCBGCWSLHXTR-UHFFFAOYSA-N 0 0 343.412 1.444 50 70 EDIARN Cc1nonc1CC(=O)NCCc1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000218765321 241344265 /nfs/dbraw/zinc/34/42/65/241344265.db2.gz IDFRNMLKQASJFY-UHFFFAOYSA-N 0 0 347.400 1.194 50 70 EDIARN OC[C@@H]1CN(Cc2nc3cc(Br)ccc3[nH]2)CCO1 ZINC000160064640 441856711 /nfs/dbraw/zinc/85/67/11/441856711.db2.gz WKPRXJKIMPCEME-JTQLQIEISA-N 0 0 326.194 1.519 50 70 EDIARN CCCc1cc(CN(C)C(=O)Cc2nc3nc(C)cc(C)n3n2)[nH]n1 ZINC000217984601 535396129 /nfs/dbraw/zinc/39/61/29/535396129.db2.gz YJSDPAAHORCDEH-UHFFFAOYSA-N 0 0 341.419 1.618 50 70 EDIARN CCOc1ncccc1C(=O)NCCc1nc2ccccc2c(=O)[nH]1 ZINC000218429520 535587647 /nfs/dbraw/zinc/58/76/47/535587647.db2.gz OHYCCKBHFZZDMW-UHFFFAOYSA-N 0 0 338.367 1.689 50 70 EDIARN COc1cccc2c(O)c(C(=O)NCCN3CCOCC3)cnc12 ZINC000218304376 536933666 /nfs/dbraw/zinc/93/36/66/536933666.db2.gz VVIRKCGWWRYLSP-UHFFFAOYSA-N 0 0 331.372 1.011 50 70 EDIARN O=C(CCN1CCn2nc(CO)cc2C1)N1CCc2ccccc2C1 ZINC000217047000 241234074 /nfs/dbraw/zinc/23/40/74/241234074.db2.gz FIONJOGMWXCQQM-UHFFFAOYSA-N 0 0 340.427 1.166 50 70 EDIARN OCc1cc2n(n1)CCN(CCc1nc3cc(Cl)ccc3[nH]1)C2 ZINC000217140760 241239496 /nfs/dbraw/zinc/23/94/96/241239496.db2.gz KJQLUVRLAYDCCJ-UHFFFAOYSA-N 0 0 331.807 1.963 50 70 EDIARN Cn1ccnc1CN1CCN(C(=O)[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000217207572 241240283 /nfs/dbraw/zinc/24/02/83/241240283.db2.gz LRSFRPWCBDUEOX-INIZCTEOSA-N 0 0 348.834 1.451 50 70 EDIARN CC(=O)c1[nH]c(C)c(C(=O)N2CCCO[C@@H](Cn3cccn3)C2)c1C ZINC000217390749 241245426 /nfs/dbraw/zinc/24/54/26/241245426.db2.gz UKBZEEUMOIMYJL-OAHLLOKOSA-N 0 0 344.415 1.962 50 70 EDIARN COc1ccc(C(=O)N[C@H]2CCCN(c3cnccn3)C2)c(OC)n1 ZINC000217385124 241246275 /nfs/dbraw/zinc/24/62/75/241246275.db2.gz QYBUDHDWAJTMHL-LBPRGKRZSA-N 0 0 343.387 1.288 50 70 EDIARN Cc1cc(N)n(CC(=O)NCCc2csc(-c3ncccn3)n2)n1 ZINC000218420591 241321557 /nfs/dbraw/zinc/32/15/57/241321557.db2.gz XZFDFHUKUNASNW-UHFFFAOYSA-N 0 0 343.416 1.046 50 70 EDIARN COCCCn1cnnc1CNC(=O)Cc1cn(C)c2ccccc12 ZINC000218512384 241327922 /nfs/dbraw/zinc/32/79/22/241327922.db2.gz MMXZWVRGIBEPDH-UHFFFAOYSA-N 0 0 341.415 1.665 50 70 EDIARN Cc1ccc(NC(=O)C(=O)NCC[C@H](O)c2cccn2C)cc1F ZINC000217947495 241286698 /nfs/dbraw/zinc/28/66/98/241286698.db2.gz UBCCNXNLZSRSKC-HNNXBMFYSA-N 0 0 333.363 1.651 50 70 EDIARN Cc1cc(C)n([C@H]2CCN(C(=O)c3nc4ccccc4c(=O)[nH]3)C2)n1 ZINC000218077710 241296085 /nfs/dbraw/zinc/29/60/85/241296085.db2.gz UOYZTOSQBGZGCW-ZDUSSCGKSA-N 0 0 337.383 1.824 50 70 EDIARN O=C(N[C@H](Cc1ccncc1)[C@H]1C[C@H](O)C1)C1(Cn2ccnc2)CC1 ZINC000218353987 241315944 /nfs/dbraw/zinc/31/59/44/241315944.db2.gz HZAAPKJQUNUXIM-IXDOHACOSA-N 0 0 340.427 1.557 50 70 EDIARN CCN(Cc1nc(COC)no1)C(=O)c1cc2c([nH]c1=O)CCC2 ZINC000218661355 241337033 /nfs/dbraw/zinc/33/70/33/241337033.db2.gz LYERHPXMUSCLRB-UHFFFAOYSA-N 0 0 332.360 1.055 50 70 EDIARN Cc1cc(C[C@@H](C)NC(=O)Nc2ccnn2C[C@@H]2CCOC2)[nH]n1 ZINC000159598138 225247492 /nfs/dbraw/zinc/24/74/92/225247492.db2.gz YYEHRCISXRPLME-YPMHNXCESA-N 0 0 332.408 1.704 50 70 EDIARN COC(=O)CS[C@@H]1CCN(S(=O)(=O)c2cc(C)ccc2C)C1 ZINC000217567077 241260457 /nfs/dbraw/zinc/26/04/57/241260457.db2.gz MNHZDXLNULSTKP-CYBMUJFWSA-N 0 0 343.470 1.973 50 70 EDIARN O=C(NCC[C@H]1CCCCO1)c1ccccc1N1CCC(=O)NC1=O ZINC000216930508 241225249 /nfs/dbraw/zinc/22/52/49/241225249.db2.gz OFUMYLGFRYRYFR-CYBMUJFWSA-N 0 0 345.399 1.822 50 70 EDIARN C[C@@H](O)c1cc2n(n1)CCCN(C(=O)Cn1nc3ccccc3n1)C2 ZINC000217122380 241236116 /nfs/dbraw/zinc/23/61/16/241236116.db2.gz BKXDKIVRQCZWMX-GFCCVEGCSA-N 0 0 340.387 1.114 50 70 EDIARN Cc1cc(C)n(Cc2ccc(C(=O)N[C@@H]3COCC[C@H]3O)cc2)n1 ZINC000217206664 241241929 /nfs/dbraw/zinc/24/19/29/241241929.db2.gz OVNAIPSALXFSNQ-IAGOWNOFSA-N 0 0 329.400 1.428 50 70 EDIARN COC(=O)CS[C@@H]1CCN(C(=O)COc2ccccc2OC)C1 ZINC000217555376 241258515 /nfs/dbraw/zinc/25/85/15/241258515.db2.gz DVMCYCBUYBRLCC-GFCCVEGCSA-N 0 0 339.413 1.581 50 70 EDIARN CCc1cc(N2CCN(C(=O)c3c[nH]c(=O)c(Cl)c3)CC2)ncn1 ZINC000218511198 241328947 /nfs/dbraw/zinc/32/89/47/241328947.db2.gz JSPQAUQMMARPNZ-UHFFFAOYSA-N 0 0 347.806 1.343 50 70 EDIARN CC(=O)c1c(C)nn(CCC(=O)N2CCC[C@H]2c2nnc(C)[nH]2)c1C ZINC000218074318 241296656 /nfs/dbraw/zinc/29/66/56/241296656.db2.gz DRPIJUUCIRBKHX-AWEZNQCLSA-N 0 0 344.419 1.883 50 70 EDIARN O=C(NCc1nc(Cc2ccccc2)no1)c1ccc2n[nH]nc2c1 ZINC000218128875 241300732 /nfs/dbraw/zinc/30/07/32/241300732.db2.gz IRKXIZNUQQTQHA-UHFFFAOYSA-N 0 0 334.339 1.862 50 70 EDIARN Cc1nc2ccccn2c1CN(C)C(=O)C[C@H]1C=CS(=O)(=O)C1 ZINC000218636822 241333903 /nfs/dbraw/zinc/33/39/03/241333903.db2.gz LQEBKJZFGBBOLR-CYBMUJFWSA-N 0 0 333.413 1.550 50 70 EDIARN Cc1noc(C)c1CO[C@H]1CCOC[C@H]1NC(=O)CCn1cccn1 ZINC000218763888 241343333 /nfs/dbraw/zinc/34/33/33/241343333.db2.gz CQUFTTFLDCKPNG-CVEARBPZSA-N 0 0 348.403 1.369 50 70 EDIARN Cn1cc([C@H](NC(=O)c2cc(C(F)(F)F)n[nH]2)C2CC(O)C2)cn1 ZINC000218779005 241346550 /nfs/dbraw/zinc/34/65/50/241346550.db2.gz XWNBSAGDEXZOBC-YHBRXECLSA-N 0 0 343.309 1.404 50 70 EDIARN CS(=O)(=O)NCC[C@H]1CCCCN1Cc1cc(C(N)=O)cs1 ZINC000159453018 533400885 /nfs/dbraw/zinc/40/08/85/533400885.db2.gz LZAIHCADMLZEMA-GFCCVEGCSA-N 0 0 345.490 1.141 50 70 EDIARN CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCc1ccc2c(c1)CCCO2 ZINC000218182998 534567769 /nfs/dbraw/zinc/56/77/69/534567769.db2.gz OQVWUWCJHHRYPH-INIZCTEOSA-N 0 0 342.399 1.098 50 70 EDIARN CSCC[C@H](NC(C)=O)C(=O)N1CCC(c2ccncn2)CC1 ZINC000217570793 241260309 /nfs/dbraw/zinc/26/03/09/241260309.db2.gz FCIFSZAIEGQZJF-HNNXBMFYSA-N 0 0 336.461 1.440 50 70 EDIARN O=C(COC[C@H]1CCCCO1)N1CCOc2ccc(CO)cc2C1 ZINC000217445009 241251210 /nfs/dbraw/zinc/25/12/10/241251210.db2.gz RBWMYDSLAOBMHJ-MRXNPFEDSA-N 0 0 335.400 1.486 50 70 EDIARN Cc1csc(CCCNC(=O)CSc2nnc(N)s2)n1 ZINC000218034313 241291540 /nfs/dbraw/zinc/29/15/40/241291540.db2.gz MGEZBKLMVYGEOR-UHFFFAOYSA-N 0 0 329.476 1.726 50 70 EDIARN O=C(CN1CCNC(=O)C1)N1CCCC[C@H]1CCc1cccc(O)c1 ZINC000218266959 241309844 /nfs/dbraw/zinc/30/98/44/241309844.db2.gz HKIRZKPZXIDYPL-INIZCTEOSA-N 0 0 345.443 1.138 50 70 EDIARN O=C(Cn1ccnc1)N[C@@H](c1ccc2c(c1)CCO2)C1CC(O)C1 ZINC000218610103 241334231 /nfs/dbraw/zinc/33/42/31/241334231.db2.gz MRNYUUNNOSDNFQ-JMLCCBQJSA-N 0 0 327.384 1.446 50 70 EDIARN O=C(N[C@H]1C[C@H](c2cc(N3CC[C@@H](O)C3)ncn2)C1)c1ccco1 ZINC000218732274 241341077 /nfs/dbraw/zinc/34/10/77/241341077.db2.gz SEWJXRATPCJODP-FRRDWIJNSA-N 0 0 328.372 1.317 50 70 EDIARN CC[C@H](Cn1ccnc1)NC(=O)CCS(=O)(=O)c1ccc(C)cc1 ZINC000218719795 241341533 /nfs/dbraw/zinc/34/15/33/241341533.db2.gz UUAODJFULXNDQV-OAHLLOKOSA-N 0 0 349.456 1.950 50 70 EDIARN Cc1noc([C@H]2COCCN2C[C@@H](O)COc2cc(C)ccc2C)n1 ZINC000160907766 225503090 /nfs/dbraw/zinc/50/30/90/225503090.db2.gz XWLLZSHXWYBZPU-HZPDHXFCSA-N 0 0 347.415 1.808 50 70 EDIARN CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)c1ccc2ncccc2c1 ZINC000160497686 441889711 /nfs/dbraw/zinc/88/97/11/441889711.db2.gz VNGAIZPSYQNFDG-HOCLYGCPSA-N 0 0 347.440 1.683 50 70 EDIARN CCn1cnnc1[C@H]1CCCN([C@@H](C)C(=O)Nc2cc(C)no2)C1 ZINC000161285028 441981070 /nfs/dbraw/zinc/98/10/70/441981070.db2.gz FIEOLQWJSJRAPI-STQMWFEESA-N 0 0 332.408 1.801 50 70 EDIARN CC1(C)S[C@H]2c3ccccc3C(=O)N2[C@H]1C(=O)Nc1nc[nH]n1 ZINC000218514899 491019491 /nfs/dbraw/zinc/01/94/91/491019491.db2.gz BHBHRRHLEROGOD-GWCFXTLKSA-N 0 0 329.385 1.792 50 70 EDIARN CC(C)Oc1ccc2nnc(CCCC(=O)N[C@H](CO)C(C)C)n2n1 ZINC000218131609 535023862 /nfs/dbraw/zinc/02/38/62/535023862.db2.gz AQXMVVSKYOAMEE-CYBMUJFWSA-N 0 0 349.435 1.367 50 70 EDIARN CC[C@@H](C)[C@@H](CO)NC(=O)C1CCN(c2ccc(Cl)nn2)CC1 ZINC000218247287 535651207 /nfs/dbraw/zinc/65/12/07/535651207.db2.gz COSJJZRSGSSYJZ-DGCLKSJQSA-N 0 0 340.855 1.870 50 70 EDIARN COC[C@](C)(O)CNC(=O)CCc1ccccc1Br ZINC000217571209 536651086 /nfs/dbraw/zinc/65/10/86/536651086.db2.gz PWJDEFDZSBWZEA-CQSZACIVSA-N 0 0 330.222 1.895 50 70 EDIARN Cc1noc(C)c1C(=O)N1CC(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)C1 ZINC000217730990 241273586 /nfs/dbraw/zinc/27/35/86/241273586.db2.gz ORLOHVLRHWDPAQ-BETUJISGSA-N 0 0 329.356 1.067 50 70 EDIARN O=C(Cc1ccc2c(c1)OCO2)N1CC[C@@H](N2C(=O)CSC2=O)C1 ZINC000217786583 241274573 /nfs/dbraw/zinc/27/45/73/241274573.db2.gz OUJIFLYUQSEMSI-LLVKDONJSA-N 0 0 348.380 1.254 50 70 EDIARN Cc1nnc([C@@H]2CCCN2C(=O)C2(N3CCOCC3)CCCCC2)[nH]1 ZINC000217143177 241237686 /nfs/dbraw/zinc/23/76/86/241237686.db2.gz SGVGNBUPIWSWBN-HNNXBMFYSA-N 0 0 347.463 1.812 50 70 EDIARN O=C(Cn1ncc2ccccc21)N1CCCO[C@@H](Cn2cccn2)C1 ZINC000217164249 241239313 /nfs/dbraw/zinc/23/93/13/241239313.db2.gz TULGKOAPEHJHDK-MRXNPFEDSA-N 0 0 339.399 1.551 50 70 EDIARN COc1cn(CC(=O)Nc2ccc3c(c2)ncn3C)c(C)cc1=O ZINC000218402628 241319707 /nfs/dbraw/zinc/31/97/07/241319707.db2.gz QXDGGEKYJWLWPI-UHFFFAOYSA-N 0 0 326.356 1.691 50 70 EDIARN COCCNC(=O)[C@H](Cc1ccccc1)Nc1nc(C)cc(C)n1 ZINC000218412447 241320445 /nfs/dbraw/zinc/32/04/45/241320445.db2.gz HJUOOMSUCMCLRQ-INIZCTEOSA-N 0 0 328.416 1.879 50 70 EDIARN CC[C@@H](O)c1cc2n(n1)CCN(Cc1c(C)nn(CCO)c1C)C2 ZINC000217980415 241287385 /nfs/dbraw/zinc/28/73/85/241287385.db2.gz FFOVMMVBURGTMF-QGZVFWFLSA-N 0 0 333.436 1.148 50 70 EDIARN O=C(CCc1cnccn1)N[C@@H]1CCOC[C@H]1Oc1cccc(F)c1 ZINC000218125741 241300456 /nfs/dbraw/zinc/30/04/56/241300456.db2.gz JMMJURSLCCZCSZ-IAGOWNOFSA-N 0 0 345.374 1.901 50 70 EDIARN COc1ccc(CCNC(=O)CNc2nc(C)cc(C)n2)cc1OC ZINC000218179057 241303150 /nfs/dbraw/zinc/30/31/50/241303150.db2.gz FLBJRWLMWRXNJS-UHFFFAOYSA-N 0 0 344.415 1.881 50 70 EDIARN COCCn1cncc1CNC(=O)CCN1Cc2ccccc2C1=O ZINC000218718659 241341744 /nfs/dbraw/zinc/34/17/44/241341744.db2.gz KNLVBKOTQZYIFH-UHFFFAOYSA-N 0 0 342.399 1.192 50 70 EDIARN CN1CCN(S(=O)(=O)c2ccc(NC(=O)C3=CCCC3)cc2)CC1 ZINC000159848102 441843256 /nfs/dbraw/zinc/84/32/56/441843256.db2.gz LDYSJTLTSOZGAW-UHFFFAOYSA-N 0 0 349.456 1.672 50 70 EDIARN Cc1occc1C(=O)N1CCCN(S(=O)(=O)N2CCCC2)CC1 ZINC000217576829 241260887 /nfs/dbraw/zinc/26/08/87/241260887.db2.gz JPHWFXZFUQTPSE-UHFFFAOYSA-N 0 0 341.433 1.077 50 70 EDIARN CCc1nc(C)ccc1OCC(=O)N1CCC[C@@H](N2CCCC2=O)C1 ZINC000217577400 241261417 /nfs/dbraw/zinc/26/14/17/241261417.db2.gz BGXQXIZOSFVNLB-OAHLLOKOSA-N 0 0 345.443 1.945 50 70 EDIARN O=C(COc1ncnc2ccccc21)NCCCn1ccccc1=O ZINC000217099500 241235100 /nfs/dbraw/zinc/23/51/00/241235100.db2.gz XXKXVCVSWLUNHB-UHFFFAOYSA-N 0 0 338.367 1.377 50 70 EDIARN O=C(NCc1nc(-c2cnccn2)n[nH]1)c1scc2c1OCCO2 ZINC000217203132 241240706 /nfs/dbraw/zinc/24/07/06/241240706.db2.gz AHGFYWBNTVABLX-UHFFFAOYSA-N 0 0 344.356 1.024 50 70 EDIARN CN(CC(=O)N1CCC[C@@]2(CNC(=O)O2)CC1)Cc1cccnc1 ZINC000217339157 241244871 /nfs/dbraw/zinc/24/48/71/241244871.db2.gz WWUWUICMEHQUBM-KRWDZBQOSA-N 0 0 332.404 1.005 50 70 EDIARN Cc1cc(F)ccc1S(=O)(=O)NCC[C@@H](O)c1cccn1C ZINC000217941571 241286624 /nfs/dbraw/zinc/28/66/24/241286624.db2.gz MTSAAVRHWYCBLQ-CQSZACIVSA-N 0 0 326.393 1.875 50 70 EDIARN Cc1cc(C)nc(N[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)n1 ZINC000218269352 241310886 /nfs/dbraw/zinc/31/08/86/241310886.db2.gz KBFZJZGLEJGEPH-KRWDZBQOSA-N 0 0 340.427 1.975 50 70 EDIARN CS(=O)(=O)NC1CCN(C(=O)[C@@H]2CCc3ccccc3C2)CC1 ZINC000218297102 241312235 /nfs/dbraw/zinc/31/22/35/241312235.db2.gz RPYVSHHNSQVYEJ-OAHLLOKOSA-N 0 0 336.457 1.332 50 70 EDIARN COc1cccc(N2C[C@@H](NC(=O)c3cc(CO)ccn3)CC2=O)c1 ZINC000218311165 241314104 /nfs/dbraw/zinc/31/41/04/241314104.db2.gz ZLFHZUDDOVEUFV-ZDUSSCGKSA-N 0 0 341.367 1.118 50 70 EDIARN CSCc1noc(CNC(=O)c2cc(C(C)(C)C)nc(=O)[nH]2)n1 ZINC000218662066 241337481 /nfs/dbraw/zinc/33/74/81/241337481.db2.gz KTKBYBDARATMOZ-UHFFFAOYSA-N 0 0 337.405 1.243 50 70 EDIARN CN(CC(=O)N[C@@H]1COCC[C@@H]1OCC1CC1)Cc1ccncc1 ZINC000218779590 241345402 /nfs/dbraw/zinc/34/54/02/241345402.db2.gz VBLRGKLDVHDHEC-SJORKVTESA-N 0 0 333.432 1.214 50 70 EDIARN C[SiH](C)[Si]([SiH](C)C)([SiH](C)C)[SiH](C)c1ccccc1 ZINC000169817771 533589682 /nfs/dbraw/zinc/58/96/82/533589682.db2.gz DPBZXUGXNLFKFD-UHFFFAOYSA-N 0 0 326.813 1.973 50 70 EDIARN CCOc1ccc(S(=O)(=O)N2CCc3oncc3C2)cc1F ZINC000217694986 535394028 /nfs/dbraw/zinc/39/40/28/535394028.db2.gz ZYNTZOVAVCUWFE-UHFFFAOYSA-N 0 0 326.349 1.959 50 70 EDIARN Cc1c[nH]c(C(=O)N2CCN(c3nnc(C(F)(F)F)s3)CC2)n1 ZINC000217050288 241234467 /nfs/dbraw/zinc/23/44/67/241234467.db2.gz DSNYVQOERIHFAK-UHFFFAOYSA-N 0 0 346.338 1.551 50 70 EDIARN O=C(COC[C@@H]1CCCCO1)N1CCOc2ccc(CO)cc2C1 ZINC000217444929 241251392 /nfs/dbraw/zinc/25/13/92/241251392.db2.gz RBWMYDSLAOBMHJ-INIZCTEOSA-N 0 0 335.400 1.486 50 70 EDIARN COC(=O)CS[C@@H]1CCN(C(=O)COc2ccc(F)cc2)C1 ZINC000217553613 241256649 /nfs/dbraw/zinc/25/66/49/241256649.db2.gz AWXNZLDZYKEKOJ-CYBMUJFWSA-N 0 0 327.377 1.712 50 70 EDIARN Cc1noc(C)c1CO[C@H]1CCOC[C@H]1NS(=O)(=O)C1CC1 ZINC000218605290 241335017 /nfs/dbraw/zinc/33/50/17/241335017.db2.gz SUHSCROILQTLML-KGLIPLIRSA-N 0 0 330.406 1.047 50 70 EDIARN COC[C@@H]1[C@@H](NS(=O)(=O)c2ccc(C)cc2OC)[C@@H]2CCO[C@H]12 ZINC000218679405 241339182 /nfs/dbraw/zinc/33/91/82/241339182.db2.gz VEULGTGOSCZRNZ-VZAMPYOESA-N 0 0 341.429 1.332 50 70 EDIARN O=S(=O)(N[C@H]1CCN(c2ccccn2)C1)c1cccc(F)c1F ZINC000159379703 534871452 /nfs/dbraw/zinc/87/14/52/534871452.db2.gz BWYBMNFLEQFEOW-NSHDSACASA-N 0 0 339.367 1.917 50 70 EDIARN CC[C@@H](Cn1ccnc1)NC(=O)CCS(=O)(=O)c1ccc(C)cc1 ZINC000218719723 535777230 /nfs/dbraw/zinc/77/72/30/535777230.db2.gz UUAODJFULXNDQV-HNNXBMFYSA-N 0 0 349.456 1.950 50 70 EDIARN CN(CC(C)(C)CN1CCOCC1)S(=O)(=O)c1cccnc1 ZINC000159461636 529846565 /nfs/dbraw/zinc/84/65/65/529846565.db2.gz HYIKCZNLXYMCIX-UHFFFAOYSA-N 0 0 327.450 1.061 50 70 EDIARN COC(=O)CS[C@@H]1CCN(C(=O)c2cnn(-c3ccccc3)n2)C1 ZINC000217562807 241258677 /nfs/dbraw/zinc/25/86/77/241258677.db2.gz ZIRJVPGZDNHNDP-CYBMUJFWSA-N 0 0 346.412 1.388 50 70 EDIARN Cc1cc(C)n(C[C@@H]2CCCO2)c(=O)c1C(=O)NCc1ccncc1 ZINC000218524230 241329016 /nfs/dbraw/zinc/32/90/16/241329016.db2.gz RLAPYJUXTNIKRW-INIZCTEOSA-N 0 0 341.411 1.969 50 70 EDIARN CSCC[C@@H](CO)NC(=O)CCc1nnc(-c2ccccc2)o1 ZINC000218157834 241301785 /nfs/dbraw/zinc/30/17/85/241301785.db2.gz UYUBLPNEJFMBIU-ZDUSSCGKSA-N 0 0 335.429 1.899 50 70 EDIARN COCc1cc(CNC(=O)[C@H](c2ccc3c(c2)OCO3)N(C)C)[nH]n1 ZINC000218191793 241304154 /nfs/dbraw/zinc/30/41/54/241304154.db2.gz FHOYIWKNORBYIE-INIZCTEOSA-N 0 0 346.387 1.204 50 70 EDIARN Cc1cnn(CCNC(=O)Nc2cccc(-c3ncn(C)n3)c2)c1 ZINC000161434075 441999860 /nfs/dbraw/zinc/99/98/60/441999860.db2.gz USHOFUGSNSDHGR-UHFFFAOYSA-N 0 0 325.376 1.809 50 70 EDIARN CC(=O)Nc1ccc(C(=O)N2CC[C@@H](N3C(=O)CSC3=O)C2)cc1 ZINC000217785102 534724677 /nfs/dbraw/zinc/72/46/77/534724677.db2.gz GHPNTWPRCKJNII-CYBMUJFWSA-N 0 0 347.396 1.555 50 70 EDIARN COc1ccccc1CC(=O)NCCn1cc(-c2nc(C)no2)nn1 ZINC000217465910 537019222 /nfs/dbraw/zinc/01/92/22/537019222.db2.gz VJNLCHCMJPPCJR-UHFFFAOYSA-N 0 0 342.359 1.004 50 70 EDIARN Cc1nc2sccc2c(N2CCCn3nc([C@@H](O)CO)cc3C2)n1 ZINC000217645861 241264725 /nfs/dbraw/zinc/26/47/25/241264725.db2.gz MLXWBYOVONYUAY-AWEZNQCLSA-N 0 0 345.428 1.632 50 70 EDIARN O=C(CCc1nc2ccccc2s1)N1CCn2nc(CO)cc2C1 ZINC000217127028 241235689 /nfs/dbraw/zinc/23/56/89/241235689.db2.gz GWAHZWXANQUWFT-UHFFFAOYSA-N 0 0 342.424 1.960 50 70 EDIARN CCc1nccn1CCC(=O)N1CCCO[C@H](Cn2cccn2)C1 ZINC000217537003 241256893 /nfs/dbraw/zinc/25/68/93/241256893.db2.gz YPHPKGLAGWGNID-HNNXBMFYSA-N 0 0 331.420 1.350 50 70 EDIARN C[C@H](O)c1cc2n(n1)CCCN(C(=O)C1(Cn3ccnc3)CC1)C2 ZINC000217541567 241257603 /nfs/dbraw/zinc/25/76/03/241257603.db2.gz SJICWFARHATJMY-ZDUSSCGKSA-N 0 0 329.404 1.346 50 70 EDIARN Cc1noc(C)c1CO[C@@H]1COCC[C@H]1NC(=O)c1cccc(=O)[nH]1 ZINC000218474548 241324291 /nfs/dbraw/zinc/32/42/91/241324291.db2.gz GNFXCTHMOXXNKF-UKRRQHHQSA-N 0 0 347.371 1.084 50 70 EDIARN OC[C@H]1CN(Cc2nc3cc(Br)ccc3[nH]2)CCO1 ZINC000160064756 441856667 /nfs/dbraw/zinc/85/66/67/441856667.db2.gz WKPRXJKIMPCEME-SNVBAGLBSA-N 0 0 326.194 1.519 50 70 EDIARN Cc1noc([C@H]2COCCN2Cc2cccc(C(=O)N(C)C)c2)n1 ZINC000160917744 325712596 /nfs/dbraw/zinc/71/25/96/325712596.db2.gz IYEHAXTZZOFWSV-OAHLLOKOSA-N 0 0 330.388 1.653 50 70 EDIARN CC[C@@H](C)[C@@H](CO)NC(=O)c1cn(CC)c2nc(C)ccc2c1=O ZINC000218377739 535652459 /nfs/dbraw/zinc/65/24/59/535652459.db2.gz DZTQDZUAFRYEPQ-IAQYHMDHSA-N 0 0 331.416 1.862 50 70 EDIARN Cc1noc(C)c1C(=O)N1CC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 ZINC000217731164 241273308 /nfs/dbraw/zinc/27/33/08/241273308.db2.gz ORLOHVLRHWDPAQ-CHWSQXEVSA-N 0 0 329.356 1.067 50 70 EDIARN CC(=O)Nc1ccc(C(=O)N2CC[C@H](N3C(=O)CSC3=O)C2)cc1 ZINC000217785020 241274844 /nfs/dbraw/zinc/27/48/44/241274844.db2.gz GHPNTWPRCKJNII-ZDUSSCGKSA-N 0 0 347.396 1.555 50 70 EDIARN Cc1cn2c(nc(CN3CCCn4nc(CO)cc4C3)cc2=O)s1 ZINC000217883026 241282054 /nfs/dbraw/zinc/28/20/54/241282054.db2.gz VJQAFDRGEIQHOZ-UHFFFAOYSA-N 0 0 345.428 1.159 50 70 EDIARN OCc1cc2n(n1)CCCN(Cc1cnc(N3CCOCC3)s1)C2 ZINC000217910382 241283872 /nfs/dbraw/zinc/28/38/72/241283872.db2.gz QGENRXZTQJUOCG-UHFFFAOYSA-N 0 0 349.460 1.074 50 70 EDIARN Cc1cc(=O)[nH]c2ccc(S(=O)(=O)N[C@@H]3C[C@@H]4OCC[C@H]34)cc12 ZINC000217970271 241287080 /nfs/dbraw/zinc/28/70/80/241287080.db2.gz OOPZCCRPXSWSGH-DFBGVHRSSA-N 0 0 334.397 1.705 50 70 EDIARN COc1cc([C@@H](CC(N)=O)c2c(C)[nH][nH]c2=O)cc(OC)c1OC ZINC000218304988 241312422 /nfs/dbraw/zinc/31/24/22/241312422.db2.gz WZFLCFBIYRFPPJ-SNVBAGLBSA-N 0 0 335.360 1.045 50 70 EDIARN COc1cn(CC(=O)NCCn2ccc3ccccc32)c(C)cc1=O ZINC000218384469 241317740 /nfs/dbraw/zinc/31/77/40/241317740.db2.gz USYJTLXHHWPCFH-UHFFFAOYSA-N 0 0 339.395 1.936 50 70 EDIARN O=C(CCN1CCCCCC1=O)N[C@@H]1CCOC[C@H]1OCC1CC1 ZINC000218578425 241333019 /nfs/dbraw/zinc/33/30/19/241333019.db2.gz BBNGALKHYMPWMP-HZPDHXFCSA-N 0 0 338.448 1.479 50 70 EDIARN Cc1cc(C[C@@H](C)NC(=O)Nc2cnn(-c3ncccn3)c2)[nH]n1 ZINC000161100171 441956752 /nfs/dbraw/zinc/95/67/52/441956752.db2.gz UGQCXWHJIUIKEB-SNVBAGLBSA-N 0 0 326.364 1.447 50 70 EDIARN Cc1cn(-c2ccccc2Cl)nc1C(=O)NC[C@H]1CN(C)CCO1 ZINC000161168283 441966526 /nfs/dbraw/zinc/96/65/26/441966526.db2.gz ILOMXKVQSDNMLK-ZDUSSCGKSA-N 0 0 348.834 1.895 50 70 EDIARN Cc1noc(C)c1C(=O)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 ZINC000217731079 241273154 /nfs/dbraw/zinc/27/31/54/241273154.db2.gz ORLOHVLRHWDPAQ-STQMWFEESA-N 0 0 329.356 1.067 50 70 EDIARN C[C@H](O)c1cc2n(n1)CCN(CCCOc1ccc(C(N)=O)cc1)C2 ZINC000216954182 241226927 /nfs/dbraw/zinc/22/69/27/241226927.db2.gz PWVSRLDVAWQNLY-ZDUSSCGKSA-N 0 0 344.415 1.320 50 70 EDIARN O=C(CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O)NCc1ccncc1 ZINC000217788781 241275649 /nfs/dbraw/zinc/27/56/49/241275649.db2.gz CRFQQVDZDOJHJA-AWEZNQCLSA-N 0 0 342.355 1.192 50 70 EDIARN COC(=O)CS[C@H]1CCN(C(=O)COc2ccc(F)cc2)C1 ZINC000217553673 241256638 /nfs/dbraw/zinc/25/66/38/241256638.db2.gz AWXNZLDZYKEKOJ-ZDUSSCGKSA-N 0 0 327.377 1.712 50 70 EDIARN CCc1nnc(CN(C)C(=O)Cn2ccc(=O)c3ccccc32)o1 ZINC000218398909 241319284 /nfs/dbraw/zinc/31/92/84/241319284.db2.gz CUSDXTDCXXFPOB-UHFFFAOYSA-N 0 0 326.356 1.606 50 70 EDIARN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC000218607477 292336496 /nfs/dbraw/zinc/33/64/96/292336496.db2.gz YFALQPJHDIZLNH-ZDUSSCGKSA-N 0 0 343.383 1.414 50 70 EDIARN CN(Cc1c[nH]nc1-c1ccccc1)C(=O)C[C@@H]1C=CS(=O)(=O)C1 ZINC000218636477 536454983 /nfs/dbraw/zinc/45/49/83/536454983.db2.gz MERAFXMHJJEKPS-ZDUSSCGKSA-N 0 0 345.424 1.984 50 70 EDIARN CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000218124727 535651360 /nfs/dbraw/zinc/65/13/60/535651360.db2.gz ZRBKPWRFOSEITO-HYVNUMGLSA-N 0 0 332.444 1.601 50 70 EDIARN CN1C[C@@H](CNC(=O)CCSCc2ccc(F)cc2)OCC1=O ZINC000218595780 536484786 /nfs/dbraw/zinc/48/47/86/536484786.db2.gz UYCHZGZYONENFE-CQSZACIVSA-N 0 0 340.420 1.422 50 70 EDIARN Cc1n[nH]c(C)c1[C@@H](C)NC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000217619668 241262673 /nfs/dbraw/zinc/26/26/73/241262673.db2.gz CCWWUVJNRDCTSL-SSDOTTSWSA-N 0 0 327.344 1.047 50 70 EDIARN O=C(Cc1ccc(F)cc1)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 ZINC000217720327 241271066 /nfs/dbraw/zinc/27/10/66/241271066.db2.gz RBKGVQACQJVLED-HOTGVXAUSA-N 0 0 342.370 1.530 50 70 EDIARN O=C(/C=C/c1cccs1)N1CC(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)C1 ZINC000217720518 241271334 /nfs/dbraw/zinc/27/13/34/241271334.db2.gz WALGZJANYPUMLK-LAELXIFRSA-N 0 0 342.420 1.923 50 70 EDIARN CN(CC(=O)NCCc1noc([C@H]2CCCO2)n1)Cc1ccncc1 ZINC000217554050 241257721 /nfs/dbraw/zinc/25/77/21/241257721.db2.gz NKXGZLFVKBJTNB-CQSZACIVSA-N 0 0 345.403 1.107 50 70 EDIARN Cn1cc([C@H](NC(=O)c2cnc3ccccc3n2)C2CC(O)C2)cn1 ZINC000218040760 241293894 /nfs/dbraw/zinc/29/38/94/241293894.db2.gz RVLVINUBJCVJRQ-FWXSHLFISA-N 0 0 337.383 1.605 50 70 EDIARN CC[C@H](O)c1cc2n(n1)CCN(C(=O)c1ccc3nc(C)cn3c1)C2 ZINC000218094492 241298070 /nfs/dbraw/zinc/29/80/70/241298070.db2.gz GKEYEQUWKHBIIY-INIZCTEOSA-N 0 0 339.399 1.939 50 70 EDIARN COc1ccc2occ([C@H](CC(N)=O)c3c(C)[nH][nH]c3=O)c(=O)c2c1 ZINC000218251248 241309141 /nfs/dbraw/zinc/30/91/41/241309141.db2.gz LSYIDSGOLVIUNT-JTQLQIEISA-N 0 0 343.339 1.134 50 70 EDIARN CC(C)C[C@@H](NC(=O)c1nc2ccccc2[nH]c1=O)c1ncnn1C ZINC000218756183 241344424 /nfs/dbraw/zinc/34/44/24/241344424.db2.gz VSBGKQLMKKYXOB-CYBMUJFWSA-N 0 0 340.387 1.569 50 70 EDIARN Cc1nnc([C@H]2CCCN2C(=O)CN2CCOc3ccccc3C2)[nH]1 ZINC000217903174 293125754 /nfs/dbraw/zinc/12/57/54/293125754.db2.gz DWGRZEAFCYDQRF-OAHLLOKOSA-N 0 0 341.415 1.671 50 70 EDIARN CC[C@@H](C)[C@@H](CO)NC(=O)CCCc1nc(-c2cccnc2)no1 ZINC000218309232 535650738 /nfs/dbraw/zinc/65/07/38/535650738.db2.gz YCHFWWNFPKKXQP-TZMCWYRMSA-N 0 0 332.404 1.978 50 70 EDIARN COc1ccc2cc(C(=O)N3CC(N4C(=O)CSC4=O)C3)[nH]c2c1 ZINC000217747333 537030856 /nfs/dbraw/zinc/03/08/56/537030856.db2.gz DGHPXRJKLYAKFZ-UHFFFAOYSA-N 0 0 345.380 1.696 50 70 EDIARN O=C1CSC(=O)N1[C@@H]1CCN(S(=O)(=O)c2ccccc2F)C1 ZINC000217787578 241275388 /nfs/dbraw/zinc/27/53/88/241275388.db2.gz PHQFUHKITYLMDH-SECBINFHSA-N 0 0 344.389 1.284 50 70 EDIARN O=C(NCCc1noc(C(F)(F)F)n1)c1ccc2c(c1)OCO2 ZINC000217003064 241231407 /nfs/dbraw/zinc/23/14/07/241231407.db2.gz XNMRFLHPUCPMDC-UHFFFAOYSA-N 0 0 329.234 1.790 50 70 EDIARN COc1ccccc1CC(=O)N1CCCn2nc([C@@H](C)O)cc2C1 ZINC000217081966 241236352 /nfs/dbraw/zinc/23/63/52/241236352.db2.gz IGIOLNFONLRAKG-CYBMUJFWSA-N 0 0 329.400 1.920 50 70 EDIARN O=C(COc1ncnc2ccccc21)NCc1cnn2cccnc12 ZINC000217898501 241283704 /nfs/dbraw/zinc/28/37/04/241283704.db2.gz VRGFWDZGNNRRFY-UHFFFAOYSA-N 0 0 334.339 1.368 50 70 EDIARN Cc1ccc(NC(=O)C(=O)NCC[C@@H](O)c2cccn2C)cc1F ZINC000217947571 241285764 /nfs/dbraw/zinc/28/57/64/241285764.db2.gz UBCCNXNLZSRSKC-OAHLLOKOSA-N 0 0 333.363 1.651 50 70 EDIARN COC(=O)c1cc(=O)c2cc(NC3=CC(=O)N(C(C)=O)C3)ccc2o1 ZINC000217974819 241287511 /nfs/dbraw/zinc/28/75/11/241287511.db2.gz DGOSCOSAXPHSEW-UHFFFAOYSA-N 0 0 342.307 1.264 50 70 EDIARN O=C(CCCOc1ccccc1)N1CCN(Cc2nc[nH]n2)CC1 ZINC000218062558 241296138 /nfs/dbraw/zinc/29/61/38/241296138.db2.gz PLEGTFNDIMHWME-UHFFFAOYSA-N 0 0 329.404 1.308 50 70 EDIARN O=C(N[C@H]1C[C@@H](c2cc(N3CC[C@H](O)C3)ncn2)C1)c1ccoc1 ZINC000218609585 241334847 /nfs/dbraw/zinc/33/48/47/241334847.db2.gz MVIKXUJZKOCZQJ-IHRRRGAJSA-N 0 0 328.372 1.317 50 70 EDIARN COc1ccc([C@H](CC(N)=O)c2oc(C)cc(=O)c2O)cc1OC ZINC000217794736 536912627 /nfs/dbraw/zinc/91/26/27/536912627.db2.gz ZDBMMKQKNSUOEF-NSHDSACASA-N 0 0 333.340 1.678 50 70 EDIARN Cc1nnc([C@@H]2CCCN(C(=O)c3scc4c3OCCO4)C2)[nH]1 ZINC000217737349 241272312 /nfs/dbraw/zinc/27/23/12/241272312.db2.gz HCDHIGVRESHCGH-SNVBAGLBSA-N 0 0 334.401 1.966 50 70 EDIARN CN(CC[C@H]1CCCCO1)C(=O)COc1cccc(-n2cnnn2)c1 ZINC000217082432 241236476 /nfs/dbraw/zinc/23/64/76/241236476.db2.gz IPWJFQJYHSGRRG-OAHLLOKOSA-N 0 0 345.403 1.459 50 70 EDIARN COCCNC(=O)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1 ZINC000217850261 241279146 /nfs/dbraw/zinc/27/91/46/241279146.db2.gz IEHHEUVEYUYMJS-LBPRGKRZSA-N 0 0 346.391 1.137 50 70 EDIARN O=C(COc1ccc2c(c1)NC(=O)CC2)N[C@H](CO)c1ccccc1 ZINC000218171857 241303121 /nfs/dbraw/zinc/30/31/21/241303121.db2.gz QXWRMBLZUZMKNT-QGZVFWFLSA-N 0 0 340.379 1.800 50 70 EDIARN Cn1cc(NC(=O)CC[C@@H]2NC(=O)N(Cc3ccccc3)C2=O)cn1 ZINC000218174741 241304507 /nfs/dbraw/zinc/30/45/07/241304507.db2.gz AQOGAGSMEFLGHB-AWEZNQCLSA-N 0 0 341.371 1.259 50 70 EDIARN O=C(CN1CCCCCC1=O)N[C@@H]1CCOC[C@H]1OCC1CCC1 ZINC000218377637 241316906 /nfs/dbraw/zinc/31/69/06/241316906.db2.gz WPXCZLBZSQHZTL-HZPDHXFCSA-N 0 0 338.448 1.479 50 70 EDIARN CC(C)=CCO[C@@H]1COCC[C@H]1NC(=O)c1[nH]nc2c1CN(C)CC2 ZINC000218731370 241342043 /nfs/dbraw/zinc/34/20/43/241342043.db2.gz UGRKNEIRNDOHIL-HZPDHXFCSA-N 0 0 348.447 1.268 50 70 EDIARN CC1(C)S[C@@H]2c3ccccc3C(=O)N2[C@@H]1C(=O)Nc1nc[nH]n1 ZINC000218514968 278424412 /nfs/dbraw/zinc/42/44/12/278424412.db2.gz BHBHRRHLEROGOD-ZWNOBZJWSA-N 0 0 329.385 1.792 50 70 EDIARN COc1ccc(C(=O)N[C@@H]2C[C@@H]3OCC[C@H]23)cc1N1CCOCC1 ZINC000217172502 536765207 /nfs/dbraw/zinc/76/52/07/536765207.db2.gz JDJRVCSOWJMRBF-CPUCHLNUSA-N 0 0 332.400 1.439 50 70 EDIARN COc1ccc([C@H](CC(N)=O)c2c(C)[nH][nH]c2=O)c(OC)c1OC ZINC000218293252 536912425 /nfs/dbraw/zinc/91/24/25/536912425.db2.gz QTHZUWXHJDQJHO-JTQLQIEISA-N 0 0 335.360 1.045 50 70 EDIARN Cc1cc(N)n(CC(=O)N(C)Cc2nc3cc(Cl)ccc3[nH]2)n1 ZINC000217726109 241270833 /nfs/dbraw/zinc/27/08/33/241270833.db2.gz XBXBRLOBIVCMBU-UHFFFAOYSA-N 0 0 332.795 1.962 50 70 EDIARN Cn1nc(C(=O)N2CCC[C@@H](c3ccncn3)C2)c2ccccc2c1=O ZINC000217741830 241273261 /nfs/dbraw/zinc/27/32/61/241273261.db2.gz WKHNHKTXLZNSBW-CYBMUJFWSA-N 0 0 349.394 1.743 50 70 EDIARN O=C(CCn1ccc(=O)[nH]c1=O)N1CCc2c(Cl)cccc2C1 ZINC000217047599 241232471 /nfs/dbraw/zinc/23/24/71/241232471.db2.gz QLNXNRHLVYAPCK-UHFFFAOYSA-N 0 0 333.775 1.165 50 70 EDIARN Cc1nc2cc(C(=O)N3CCn4nc(CO)cc4C3)ccc2s1 ZINC000217179553 241239011 /nfs/dbraw/zinc/23/90/11/241239011.db2.gz DADWJBZOZJCKIK-UHFFFAOYSA-N 0 0 328.397 1.950 50 70 EDIARN O=C(CCC[NH+]1Cc2ccccc2C1)NCCc1noc(CO)n1 ZINC000217427089 241248881 /nfs/dbraw/zinc/24/88/81/241248881.db2.gz FXVASJDYEGSSRE-UHFFFAOYSA-N 0 0 330.388 1.017 50 70 EDIARN Cc1oc(C(C)C)cc1C(=O)N1CCn2nc([C@@H](O)CO)cc2C1 ZINC000217926257 241283158 /nfs/dbraw/zinc/28/31/58/241283158.db2.gz HQPJNDBEHGOLKM-HNNXBMFYSA-N 0 0 333.388 1.590 50 70 EDIARN CN1CCN(C(=O)N[C@@H]2COCC[C@@H]2Oc2cccc(F)c2)CC1 ZINC000218078852 241295960 /nfs/dbraw/zinc/29/59/60/241295960.db2.gz ZJHUTWQZOFNEPT-CVEARBPZSA-N 0 0 337.395 1.319 50 70 EDIARN O=C(CCN1CCCO1)N[C@@H]1COCC[C@@H]1OCc1ccccc1 ZINC000218280379 241311274 /nfs/dbraw/zinc/31/12/74/241311274.db2.gz OULCTNLVVUUYNC-SJORKVTESA-N 0 0 334.416 1.504 50 70 EDIARN Cc1nnsc1CN(C)Cc1ccc(OCC(N)=O)c(Cl)c1 ZINC000218285106 241311468 /nfs/dbraw/zinc/31/14/68/241311468.db2.gz AYYWHIJTGKHJJF-UHFFFAOYSA-N 0 0 340.836 1.996 50 70 EDIARN CS(=O)(=O)NC1CCN(C(=O)[C@H]2CCc3ccccc3C2)CC1 ZINC000218297156 241313672 /nfs/dbraw/zinc/31/36/72/241313672.db2.gz RPYVSHHNSQVYEJ-HNNXBMFYSA-N 0 0 336.457 1.332 50 70 EDIARN CC(C)Cc1nnc(NC(=O)Cn2cnc3sccc3c2=O)[nH]1 ZINC000218366911 241318424 /nfs/dbraw/zinc/31/84/24/241318424.db2.gz ANXYNEYQTDJTOV-UHFFFAOYSA-N 0 0 332.389 1.413 50 70 EDIARN COc1c(F)ccc(CN2CCn3nc([C@H](O)CO)cc3C2)c1F ZINC000218670844 241336746 /nfs/dbraw/zinc/33/67/46/241336746.db2.gz YEMQALZLQJKVAO-CQSZACIVSA-N 0 0 339.342 1.211 50 70 EDIARN Cn1cc([C@@H](NC(=O)c2cc(C(F)(F)F)n[nH]2)C2CC(O)C2)cn1 ZINC000218778925 241345557 /nfs/dbraw/zinc/34/55/57/241345557.db2.gz XWNBSAGDEXZOBC-FMDDCXKFSA-N 0 0 343.309 1.404 50 70 EDIARN Cc1ccc2cc(C(=O)NCCN3CCS(=O)(=O)CC3)ccc2n1 ZINC000160148562 206282637 /nfs/dbraw/zinc/28/26/37/206282637.db2.gz HCSAZMWVSFNVDE-UHFFFAOYSA-N 0 0 347.440 1.003 50 70 EDIARN CC[C@H](NS(=O)(=O)c1ccc(NC(N)=O)cc1)[C@H]1C[C@H](O)C1 ZINC000218072421 288056057 /nfs/dbraw/zinc/05/60/57/288056057.db2.gz LPERLUKQMBBHQZ-NDMJEZRESA-N 0 0 327.406 1.005 50 70 EDIARN O=C(N[C@H]1CCO[C@H](C2CC2)C1)N1CCN(Cc2ccccn2)CC1 ZINC000161264740 441978292 /nfs/dbraw/zinc/97/82/92/441978292.db2.gz RMRBAGMOWRENLR-WMZOPIPTSA-N 0 0 344.459 1.866 50 70 EDIARN COC(=O)CS[C@@H]1CCN(S(=O)(=O)c2ccccc2F)C1 ZINC000217566191 241258779 /nfs/dbraw/zinc/25/87/79/241258779.db2.gz DNYXUMBSVGYGLM-SNVBAGLBSA-N 0 0 333.406 1.495 50 70 EDIARN CN(CC(=O)NC[C@H]1OCCc2ccccc21)Cc1ccncc1 ZINC000217118631 241236853 /nfs/dbraw/zinc/23/68/53/241236853.db2.gz TVZQIESOGRBXDJ-GOSISDBHSA-N 0 0 325.412 1.944 50 70 EDIARN Nc1n[nH]c(C(=O)N2CCN(c3cnccn3)CC2)c1-c1ccccc1 ZINC000217193377 241241883 /nfs/dbraw/zinc/24/18/83/241241883.db2.gz ABVIMOKWFGAKLO-UHFFFAOYSA-N 0 0 349.398 1.411 50 70 EDIARN CC(=O)c1[nH]c(C)c(C(=O)N2CCCO[C@H](Cn3cccn3)C2)c1C ZINC000217390838 241246348 /nfs/dbraw/zinc/24/63/48/241246348.db2.gz UKBZEEUMOIMYJL-HNNXBMFYSA-N 0 0 344.415 1.962 50 70 EDIARN Cc1cc(C(=O)N2CCN(c3ccc4nccn4n3)CC2)c(C)o1 ZINC000217392695 241246448 /nfs/dbraw/zinc/24/64/48/241246448.db2.gz YDYBGHDRWWVLKL-UHFFFAOYSA-N 0 0 325.372 1.902 50 70 EDIARN COCCNC(=O)[C@@H](Cc1ccccc1)Nc1nc(C)cc(C)n1 ZINC000218412515 241319384 /nfs/dbraw/zinc/31/93/84/241319384.db2.gz HJUOOMSUCMCLRQ-MRXNPFEDSA-N 0 0 328.416 1.879 50 70 EDIARN COc1ccc2[nH]c(CCN(C)C(=O)CN3CCOC3=O)nc2c1 ZINC000218430035 241321261 /nfs/dbraw/zinc/32/12/61/241321261.db2.gz SNWCCWXCRUEXQY-UHFFFAOYSA-N 0 0 332.360 1.025 50 70 EDIARN O=C(NCCc1c[nH]cn1)C1CCN(c2ccc(Cl)nn2)CC1 ZINC000218428879 241321791 /nfs/dbraw/zinc/32/17/91/241321791.db2.gz ZECQWCJVJMVQBN-UHFFFAOYSA-N 0 0 334.811 1.428 50 70 EDIARN COc1ccc2c(c1)CCC[C@@]2(O)CNC(=O)c1snnc1C ZINC000218005870 241289958 /nfs/dbraw/zinc/28/99/58/241289958.db2.gz HQXFDEUNSZOHIZ-MRXNPFEDSA-N 0 0 333.413 1.809 50 70 EDIARN CSCC[C@@H](O)C(=O)N1CCC(Cc2noc(C3CC3)n2)CC1 ZINC000218589265 241333585 /nfs/dbraw/zinc/33/35/85/241333585.db2.gz UUBXPFPUWSMCOP-CYBMUJFWSA-N 0 0 339.461 1.842 50 70 EDIARN Cn1cc([C@H](NC(=O)C2(Cn3cccn3)CC2)[C@H]2C[C@@H](O)C2)cn1 ZINC000218603756 241333956 /nfs/dbraw/zinc/33/39/56/241333956.db2.gz CAUUOELLRTTYAX-BPLDGKMQSA-N 0 0 329.404 1.025 50 70 EDIARN O=C(Cn1ccnc1)N[C@H](c1ccc2c(c1)CCO2)C1CC(O)C1 ZINC000218610186 241334993 /nfs/dbraw/zinc/33/49/93/241334993.db2.gz MRNYUUNNOSDNFQ-JTTJXQCZSA-N 0 0 327.384 1.446 50 70 EDIARN Cc1nn(C)c(C)c1CN1CCN(C(=O)CCc2ccco2)CC1 ZINC000217211618 139020721 /nfs/dbraw/zinc/02/07/21/139020721.db2.gz WILCMCNRJAJQKH-UHFFFAOYSA-N 0 0 330.432 1.907 50 70 EDIARN CN(C(=O)[C@@H]1CSCN1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000159744279 441834264 /nfs/dbraw/zinc/83/42/64/441834264.db2.gz SQAQYZMUQGVMFH-WCQYABFASA-N 0 0 339.848 1.566 50 70 EDIARN O=C(N[C@H]1CCO[C@@H](C2CC2)C1)N1CCN(Cc2ccccn2)CC1 ZINC000161264964 441978250 /nfs/dbraw/zinc/97/82/50/441978250.db2.gz RMRBAGMOWRENLR-FUHWJXTLSA-N 0 0 344.459 1.866 50 70 EDIARN CC(=O)NCCNC(=O)CCC(=O)N1CCc2c1cccc2Cl ZINC000161456585 442002326 /nfs/dbraw/zinc/00/23/26/442002326.db2.gz VSASYCGBMTWTFN-UHFFFAOYSA-N 0 0 337.807 1.262 50 70 EDIARN Cc1cc(C(=O)N2Cc3cnc(N4CCOCC4)nc3C2)c(C)o1 ZINC000217606756 241263536 /nfs/dbraw/zinc/26/35/36/241263536.db2.gz CYHYAOKCUYGGNX-UHFFFAOYSA-N 0 0 328.372 1.679 50 70 EDIARN O=C(CCN1CCCCCC1=O)NCCc1noc(C(F)(F)F)n1 ZINC000217773267 241274609 /nfs/dbraw/zinc/27/46/09/241274609.db2.gz JVRIUXNFWNFPCW-UHFFFAOYSA-N 0 0 348.325 1.540 50 70 EDIARN O=C(/C=C/c1ccccc1)N1CCCn2nc([C@H](O)CO)cc2C1 ZINC000217164462 241239007 /nfs/dbraw/zinc/23/90/07/241239007.db2.gz PXYFOCJGYNOZSY-IWAYRVGRSA-N 0 0 327.384 1.355 50 70 EDIARN CC(=O)N1CC(Nc2ccc3c(c2)CCCN3S(C)(=O)=O)=CC1=O ZINC000218528869 241329130 /nfs/dbraw/zinc/32/91/30/241329130.db2.gz WIRLUIBNSKYCDL-UHFFFAOYSA-N 0 0 349.412 1.083 50 70 EDIARN COC(=O)[C@@H](NC(=O)Cn1ccc2c1cccc2NC(C)=O)C(C)C ZINC000217842869 241278992 /nfs/dbraw/zinc/27/89/92/241278992.db2.gz KBRKUODXQGSCLK-KRWDZBQOSA-N 0 0 345.399 1.914 50 70 EDIARN Cc1cccc(=O)n1CCCNC(=O)CC1=CSC2=NCCCN12 ZINC000217845801 241279178 /nfs/dbraw/zinc/27/91/78/241279178.db2.gz GJLHNLRUNKXWNW-UHFFFAOYSA-N 0 0 346.456 1.703 50 70 EDIARN CN(C)C(=O)C[C@H](O)c1cc2n(n1)CCN(Cc1cccs1)C2 ZINC000218549758 241330223 /nfs/dbraw/zinc/33/02/23/241330223.db2.gz XNENESVNBZSFSO-HNNXBMFYSA-N 0 0 334.445 1.472 50 70 EDIARN Cc1nnnn1CCC(=O)N[C@@H](Cn1ccnc1)c1ccccc1 ZINC000218268783 241310023 /nfs/dbraw/zinc/31/00/23/241310023.db2.gz NEXZENFRHXKGIW-HNNXBMFYSA-N 0 0 325.376 1.126 50 70 EDIARN O=C(COC[C@@H]1CCCO1)NCCc1nccc(-c2ccccc2)n1 ZINC000218608838 241333827 /nfs/dbraw/zinc/33/38/27/241333827.db2.gz FFHGOBXKHGIBDS-INIZCTEOSA-N 0 0 341.411 1.998 50 70 EDIARN CN1C[C@@H](C(=O)NCCCCCc2nc3ccccc3n2C)CC1=O ZINC000218552926 536484217 /nfs/dbraw/zinc/48/42/17/536484217.db2.gz YVMIMLDFLJSFSJ-AWEZNQCLSA-N 0 0 342.443 1.881 50 70 EDIARN CC(C)Nc1ncc(C(=O)N2CCCn3nc([C@@H](C)O)cc3C2)cn1 ZINC000217647425 241266437 /nfs/dbraw/zinc/26/64/37/241266437.db2.gz UMGONDUFEXKTSH-GFCCVEGCSA-N 0 0 344.419 1.593 50 70 EDIARN O=S(=O)(/C=C/c1ccccc1)N1CCCn2nc(CO)cc2C1 ZINC000217716953 241269371 /nfs/dbraw/zinc/26/93/71/241269371.db2.gz NIVQHAJQFGVCED-JXMROGBWSA-N 0 0 333.413 1.582 50 70 EDIARN O=C(CCc1nc2ccccc2[nH]1)N1C[C@H]2CCC[C@@H](C1)NC2=O ZINC000217047489 241232780 /nfs/dbraw/zinc/23/27/80/241232780.db2.gz UCLQPEUDLCSMPM-OLZOCXBDSA-N 0 0 326.400 1.623 50 70 EDIARN COCCNc1nc2cc(C(=O)NCc3nnc(C)o3)ccc2n1C ZINC000217070673 241236460 /nfs/dbraw/zinc/23/64/60/241236460.db2.gz DWNQDUCSOYQRSF-UHFFFAOYSA-N 0 0 344.375 1.253 50 70 EDIARN COc1ccc(C(=O)NCCc2ccncc2)cc1N1CCOCC1 ZINC000217404618 241248374 /nfs/dbraw/zinc/24/83/74/241248374.db2.gz DTWJWBRATWCIDU-UHFFFAOYSA-N 0 0 341.411 1.899 50 70 EDIARN CSCc1ccc(C(=O)N2CCc3nc(C)[nH]c(=O)c3CC2)o1 ZINC000217496131 241253033 /nfs/dbraw/zinc/25/30/33/241253033.db2.gz BAOANBYXAVXQNX-UHFFFAOYSA-N 0 0 333.413 1.775 50 70 EDIARN CCNc1nc(C)c(C(=O)N2CCN(C3CCOCC3)CC2)s1 ZINC000218042133 241294229 /nfs/dbraw/zinc/29/42/29/241294229.db2.gz VFIVLMGXMROQDL-UHFFFAOYSA-N 0 0 338.477 1.820 50 70 EDIARN Cc1cc(C)n2c(nnc2C(=O)N(C)Cc2noc3c2CCCC3)n1 ZINC000218141728 241299464 /nfs/dbraw/zinc/29/94/64/241299464.db2.gz VLDLYGKFPROOQD-UHFFFAOYSA-N 0 0 340.387 1.880 50 70 EDIARN O=C(Nc1cnn(C[C@@H]2COc3ccccc3O2)c1)c1nc[nH]n1 ZINC000218285123 241310703 /nfs/dbraw/zinc/31/07/03/241310703.db2.gz ZOZJGSPEJIJEDM-LLVKDONJSA-N 0 0 326.316 1.094 50 70 EDIARN Cc1nn2cc(CNC(=O)COCC(F)(F)C(F)F)nc2s1 ZINC000218622153 241335647 /nfs/dbraw/zinc/33/56/47/241335647.db2.gz VZJMCTKBIXGDOZ-UHFFFAOYSA-N 0 0 340.302 1.632 50 70 EDIARN Cc1cc(C[C@H](C)NC(=O)Nc2ccnn2C[C@H]2CCOC2)[nH]n1 ZINC000159598547 206255070 /nfs/dbraw/zinc/25/50/70/206255070.db2.gz YYEHRCISXRPLME-WCQYABFASA-N 0 0 332.408 1.704 50 70 EDIARN CN1CCN(C(=O)N2CCC[C@@H](Cc3nc(C4CC4)no3)C2)CC1 ZINC000217818760 536404525 /nfs/dbraw/zinc/40/45/25/536404525.db2.gz KKMJSOGENKSQBC-ZDUSSCGKSA-N 0 0 333.436 1.569 50 70 EDIARN O=C1CSC(=O)N1C1CN(S(=O)(=O)c2c(F)cccc2F)C1 ZINC000217749174 241272805 /nfs/dbraw/zinc/27/28/05/241272805.db2.gz HNLLNAQLSWIKBT-UHFFFAOYSA-N 0 0 348.352 1.033 50 70 EDIARN COCCNC(=O)N1CCn2nc([C@@H](O)c3ccccc3)cc2C1 ZINC000217772568 241274938 /nfs/dbraw/zinc/27/49/38/241274938.db2.gz AIRAPGNDKLUAFZ-INIZCTEOSA-N 0 0 330.388 1.136 50 70 EDIARN Cn1c2ccccc2nc1[C@@H]1CCCN(C(=O)CCn2cnnn2)C1 ZINC000216973911 241229301 /nfs/dbraw/zinc/22/93/01/241229301.db2.gz JHSGQOCDOCVJCA-CYBMUJFWSA-N 0 0 339.403 1.356 50 70 EDIARN Cc1ccc(C(=O)N2CCC(C(=O)NC[C@@H]3COCCO3)CC2)cc1 ZINC000217211802 241240504 /nfs/dbraw/zinc/24/05/04/241240504.db2.gz XIXPHKUUFRIYFG-QGZVFWFLSA-N 0 0 346.427 1.379 50 70 EDIARN Cn1cnnc1SCCNC(=O)c1cccc(OC(F)F)c1 ZINC000217461488 241250467 /nfs/dbraw/zinc/25/04/67/241250467.db2.gz GFAVXVOQMJXLGW-UHFFFAOYSA-N 0 0 328.344 1.939 50 70 EDIARN O=C(c1nnn(Cc2ccccc2)c1-n1cccc1)N1CCOCC1 ZINC000217471873 241252994 /nfs/dbraw/zinc/25/29/94/241252994.db2.gz LWEYGZDENRVCFA-UHFFFAOYSA-N 0 0 337.383 1.590 50 70 EDIARN Cc1cc(C)n(C[C@H]2CCCO2)c(=O)c1C(=O)NCCc1c[nH]cn1 ZINC000218488105 241327271 /nfs/dbraw/zinc/32/72/71/241327271.db2.gz AUQAFQZFQASAMG-OAHLLOKOSA-N 0 0 344.415 1.340 50 70 EDIARN Cc1cccc2nc(C(=O)N[C@H](c3cnn(C)c3)C3CC(O)C3)cn21 ZINC000218539327 241330269 /nfs/dbraw/zinc/33/02/69/241330269.db2.gz AQSSVKKCAUSXHA-AJUCZRQESA-N 0 0 339.399 1.618 50 70 EDIARN CCc1nc(CCNC(=O)Cc2nc3nc(C)cc(C)n3n2)cs1 ZINC000218618511 241334853 /nfs/dbraw/zinc/33/48/53/241334853.db2.gz IYOAEBFNZUKGQY-UHFFFAOYSA-N 0 0 344.444 1.661 50 70 EDIARN Cc1cc(F)c(S(=O)(=O)N2CCN(CC(C)(C)O)CC2)cc1F ZINC000160828299 441924801 /nfs/dbraw/zinc/92/48/01/441924801.db2.gz IJQKHDMPTSLCLA-UHFFFAOYSA-N 0 0 348.415 1.350 50 70 EDIARN CCn1c(CNC(=O)[C@H](CCSC)NC(C)=O)nc2ccccc21 ZINC000217779770 535984273 /nfs/dbraw/zinc/98/42/73/535984273.db2.gz CWGLFQZASVTCTD-AWEZNQCLSA-N 0 0 348.472 1.930 50 70 EDIARN COC(=O)C[C@@H](c1ccccc1)c1c(O)c(C(=O)OC)c[nH]c1=O ZINC000218101404 536313519 /nfs/dbraw/zinc/31/35/19/536313519.db2.gz NSEGJSYCSNIOHK-NSHDSACASA-N 0 0 331.324 1.562 50 70 EDIARN Cc1cc(S(=O)(=O)N2CCCn3nc(CO)cc3C2)c(C)s1 ZINC000217086998 241234993 /nfs/dbraw/zinc/23/49/93/241234993.db2.gz QNPURJHLHYWVJT-UHFFFAOYSA-N 0 0 341.458 1.648 50 70 EDIARN Cc1ccccc1[C@H](C(=O)NCCSc1nncn1C)N(C)C ZINC000217162026 241238527 /nfs/dbraw/zinc/23/85/27/241238527.db2.gz CJTIOCRRMFVTHM-CQSZACIVSA-N 0 0 333.461 1.635 50 70 EDIARN O=C(c1cnn(Cc2ccccc2)c1)N1CCn2nc(CO)cc2C1 ZINC000217382117 241247398 /nfs/dbraw/zinc/24/73/98/241247398.db2.gz FRDBHWIRSMMMGE-UHFFFAOYSA-N 0 0 337.383 1.276 50 70 EDIARN O=C(CCc1nc2ccccc2[nH]1)N1CCn2nc(CO)cc2C1 ZINC000217491184 241253052 /nfs/dbraw/zinc/25/30/52/241253052.db2.gz NDYJQWOYXWXMGL-UHFFFAOYSA-N 0 0 325.372 1.227 50 70 EDIARN CC(=O)c1c(C)nn(CCC(=O)N2CCC[C@@H]2c2nnc(C)[nH]2)c1C ZINC000218074252 241295925 /nfs/dbraw/zinc/29/59/25/241295925.db2.gz DRPIJUUCIRBKHX-CQSZACIVSA-N 0 0 344.419 1.883 50 70 EDIARN COC(=O)[C@@H](C)NC(=O)Cn1nc(-c2ccc(Cl)cc2)ccc1=O ZINC000218243285 241307984 /nfs/dbraw/zinc/30/79/84/241307984.db2.gz LAJLSMIVJWGMOF-SNVBAGLBSA-N 0 0 349.774 1.241 50 70 EDIARN Cc1ccc2c(c1)C[C@@H](C(=O)N1CCN(C(=O)c3ccc[nH]3)CC1)N2 ZINC000218347879 241315296 /nfs/dbraw/zinc/31/52/96/241315296.db2.gz JNFZDJOIPBNYOK-KRWDZBQOSA-N 0 0 338.411 1.644 50 70 EDIARN CN(Cc1cnn(C)c1)C(=O)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000159542659 523511970 /nfs/dbraw/zinc/51/19/70/523511970.db2.gz CHXCFDQCUBYFFS-ZDUSSCGKSA-N 0 0 348.838 1.889 50 70 EDIARN O=C(/C=C/c1ccco1)N1Cc2cnc(N3CCOCC3)nc2C1 ZINC000217606646 241263178 /nfs/dbraw/zinc/26/31/78/241263178.db2.gz UJJYDKXCTRCDLH-ONEGZZNKSA-N 0 0 326.356 1.462 50 70 EDIARN C[C@H](O)c1cc2n(n1)CCN(Cc1cc(C(N)=O)oc1C(C)(C)C)C2 ZINC000217735682 241273583 /nfs/dbraw/zinc/27/35/83/241273583.db2.gz BDOWEWFKFBWPKI-NSHDSACASA-N 0 0 346.431 1.942 50 70 EDIARN OC[C@H](O)c1cc2n(n1)CCCN(Cc1nc3c(s1)CCCC3)C2 ZINC000217015119 241230749 /nfs/dbraw/zinc/23/07/49/241230749.db2.gz XLCYHEUNYTXRHX-HNNXBMFYSA-N 0 0 348.472 1.650 50 70 EDIARN C[C@@](O)(CNC(=O)CN1C(=O)CCC1=O)c1cc2ccccc2s1 ZINC000217500390 241255421 /nfs/dbraw/zinc/25/54/21/241255421.db2.gz NYHOXMGZVRSHSA-QGZVFWFLSA-N 0 0 346.408 1.374 50 70 EDIARN COCCn1cnnc1CCNC(=O)c1ccc2ncccc2c1 ZINC000218117094 241298731 /nfs/dbraw/zinc/29/87/31/241298731.db2.gz WWGIOWNAOKHEPA-UHFFFAOYSA-N 0 0 325.372 1.445 50 70 EDIARN Cc1cc(C)n(CCNC(=O)[C@@H]2Cc3cc(Cl)ccc3N2)c(=O)n1 ZINC000218119398 241299651 /nfs/dbraw/zinc/29/96/51/241299651.db2.gz RWMMFJZQPOKXRX-HNNXBMFYSA-N 0 0 346.818 1.667 50 70 EDIARN Cc1nn(-c2ccccn2)c(C)c1[C@H](CC(N)=O)c1c(C)[nH][nH]c1=O ZINC000218178250 241304658 /nfs/dbraw/zinc/30/46/58/241304658.db2.gz IGXYHQLDTLSAPN-LBPRGKRZSA-N 0 0 340.387 1.216 50 70 EDIARN CN1C[C@H](C(=O)NCCCCCc2nc3ccccc3n2C)CC1=O ZINC000218552850 241330189 /nfs/dbraw/zinc/33/01/89/241330189.db2.gz YVMIMLDFLJSFSJ-CQSZACIVSA-N 0 0 342.443 1.881 50 70 EDIARN Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1cccc(Oc2ncccn2)c1 ZINC000218336210 241314823 /nfs/dbraw/zinc/31/48/23/241314823.db2.gz DPWSQDXNQAUHEA-ZDUSSCGKSA-N 0 0 339.355 1.601 50 70 EDIARN Cc1ccc(O[C@H]2COCC[C@H]2NS(=O)(=O)CC(C)C)cn1 ZINC000218364268 241317052 /nfs/dbraw/zinc/31/70/52/241317052.db2.gz WSVKPBXHUXJZFM-CABCVRRESA-N 0 0 328.434 1.502 50 70 EDIARN Cc1cc(C)n(C[C@@H]2CCCO2)c(=O)c1C(=O)NCc1cccnc1 ZINC000218545554 241331396 /nfs/dbraw/zinc/33/13/96/241331396.db2.gz DMIUJUMXWDBPKZ-INIZCTEOSA-N 0 0 341.411 1.969 50 70 EDIARN O=C([C@H](c1ccccc1)n1cnnn1)N1CCC(c2ccncn2)CC1 ZINC000218632031 241335715 /nfs/dbraw/zinc/33/57/15/241335715.db2.gz XECWBNRLLNVILE-KRWDZBQOSA-N 0 0 349.398 1.459 50 70 EDIARN Cc1cc2c(c(=O)o1)[C@H](c1ccc3c(c1)n(C)c(=O)n3C)CC(=O)O2 ZINC000217954766 292001033 /nfs/dbraw/zinc/00/10/33/292001033.db2.gz PMXGYYGJQYJEAW-NSHDSACASA-N 0 0 340.335 1.580 50 70 EDIARN O=S(=O)(c1ccccc1)N1Cc2cnc(N3CCOCC3)nc2C1 ZINC000217615375 241262858 /nfs/dbraw/zinc/26/28/58/241262858.db2.gz XCNIBHAJCYRASO-UHFFFAOYSA-N 0 0 346.412 1.018 50 70 EDIARN Cc1cc(C)n2ncc(CN3CCn4nc([C@@H](C)O)cc4C3)c2n1 ZINC000217003790 241228882 /nfs/dbraw/zinc/22/88/82/241228882.db2.gz ABRPMVBPJRHTHR-CYBMUJFWSA-N 0 0 326.404 1.612 50 70 EDIARN CSCc1ccc(C(=O)N2CCN(Cc3nccn3C)CC2)o1 ZINC000217116154 241236103 /nfs/dbraw/zinc/23/61/03/241236103.db2.gz OSOXHNVOFMYFDX-UHFFFAOYSA-N 0 0 334.445 1.834 50 70 EDIARN CC[C@H](O)c1cc2n(n1)CCN(Cc1c(C)nn(CCO)c1C)C2 ZINC000217980502 241287998 /nfs/dbraw/zinc/28/79/98/241287998.db2.gz FFOVMMVBURGTMF-KRWDZBQOSA-N 0 0 333.436 1.148 50 70 EDIARN O=C(Nc1ccc(O)cc1)[C@]12CCC(=O)N1c1ccccc1C(=O)N2 ZINC000217989081 241289565 /nfs/dbraw/zinc/28/95/65/241289565.db2.gz ORDQAFKFXHHNAC-SFHVURJKSA-N 0 0 337.335 1.597 50 70 EDIARN Cc1cc(=O)n(CC(=O)NCc2nnc(-c3ccccc3)o2)nc1C ZINC000218300927 241312155 /nfs/dbraw/zinc/31/21/55/241312155.db2.gz HPUYMMABRCEPKV-UHFFFAOYSA-N 0 0 339.355 1.227 50 70 EDIARN Cc1cc(C[C@H](C)NC(=O)Nc2ccnn2C[C@@H]2CCOC2)[nH]n1 ZINC000159598284 206254230 /nfs/dbraw/zinc/25/42/30/206254230.db2.gz YYEHRCISXRPLME-AAEUAGOBSA-N 0 0 332.408 1.704 50 70 EDIARN Cn1cc(CC(=O)N2CC(N3C(=O)CSC3=O)C2)c2ccccc21 ZINC000217745857 241273211 /nfs/dbraw/zinc/27/32/11/241273211.db2.gz AHILZPDCUGSNDJ-UHFFFAOYSA-N 0 0 343.408 1.627 50 70 EDIARN COc1ccc([C@@H](CC(N)=O)c2oc(C)cc(=O)c2O)cc1OC ZINC000217794802 241274158 /nfs/dbraw/zinc/27/41/58/241274158.db2.gz ZDBMMKQKNSUOEF-LLVKDONJSA-N 0 0 333.340 1.678 50 70 EDIARN COc1ccccc1CNC(=O)CN1CCn2nc([C@@H](C)O)cc2C1 ZINC000217012125 241229097 /nfs/dbraw/zinc/22/90/97/241229097.db2.gz FSCRDOPNOYDBKR-CYBMUJFWSA-N 0 0 344.415 1.077 50 70 EDIARN O=C(c1scc2c1CCCC2)N1CCn2nc([C@@H](O)CO)cc2C1 ZINC000217002401 241229114 /nfs/dbraw/zinc/22/91/14/241229114.db2.gz IOKNGTPDWULELE-HNNXBMFYSA-N 0 0 347.440 1.505 50 70 EDIARN O=C(CSc1ncccn1)N[C@H]1CCCN(c2cnccn2)C1 ZINC000216963215 241230121 /nfs/dbraw/zinc/23/01/21/241230121.db2.gz AANOXXUZPQWVMB-LBPRGKRZSA-N 0 0 330.417 1.144 50 70 EDIARN C[C@](O)(CNC(=O)CN1C(=O)CCC1=O)c1cc2ccccc2s1 ZINC000217500485 241254888 /nfs/dbraw/zinc/25/48/88/241254888.db2.gz NYHOXMGZVRSHSA-KRWDZBQOSA-N 0 0 346.408 1.374 50 70 EDIARN CSc1ncc(C(=O)N[C@@H]2CCCN(Cc3cccnc3)C2)cn1 ZINC000218056548 241294683 /nfs/dbraw/zinc/29/46/83/241294683.db2.gz IJNGMPKIXQHAFN-OAHLLOKOSA-N 0 0 343.456 1.988 50 70 EDIARN COC(=O)[C@@H](C)NC(=O)Cn1nc(-c2ccccc2Cl)ccc1=O ZINC000218294065 241312696 /nfs/dbraw/zinc/31/26/96/241312696.db2.gz DAZVGPRUOLWZBT-SNVBAGLBSA-N 0 0 349.774 1.241 50 70 EDIARN COc1cccc(N2C[C@H](NC(=O)c3cc(CO)ccn3)CC2=O)c1 ZINC000218311210 241313268 /nfs/dbraw/zinc/31/32/68/241313268.db2.gz ZLFHZUDDOVEUFV-CYBMUJFWSA-N 0 0 341.367 1.118 50 70 EDIARN COCc1ccc(C(=O)N[C@H](Cc2ccncc2)[C@H]2C[C@H](O)C2)o1 ZINC000218292856 241313580 /nfs/dbraw/zinc/31/35/80/241313580.db2.gz VZHAOWJHJGCUSZ-IJEWVQPXSA-N 0 0 330.384 1.933 50 70 EDIARN CCCc1nnsc1C(=O)N1CC[C@H](SCC(=O)OC)C1 ZINC000217553974 535552092 /nfs/dbraw/zinc/55/20/92/535552092.db2.gz QWIRPGWJCFMNNT-VIFPVBQESA-N 0 0 329.447 1.611 50 70 EDIARN CCc1ocnc1C(=O)N[C@@H]1CCOC[C@H]1Oc1ccc(CO)cc1 ZINC000218096130 535935673 /nfs/dbraw/zinc/93/56/73/535935673.db2.gz NOHUKXJAWWDIBS-GDBMZVCRSA-N 0 0 346.383 1.696 50 70 EDIARN COC[C@H]1[C@@H](NC(=O)c2cnc3c(C)cccc3c2O)[C@@H]2CCO[C@H]12 ZINC000218735233 536612682 /nfs/dbraw/zinc/61/26/82/536612682.db2.gz RMZZUIRKVLAGFG-GKEYINFOSA-N 0 0 342.395 1.616 50 70 EDIARN COc1ccc2c(c1)C[C@H](C(=O)NCCc1nnc(C)s1)CO2 ZINC000217544077 536988442 /nfs/dbraw/zinc/98/84/42/536988442.db2.gz HWRFSGTWHFEZTR-LBPRGKRZSA-N 0 0 333.413 1.765 50 70 EDIARN CCc1nc(C)ccc1OCC(=O)N1CCC[C@H](N2CCCC2=O)C1 ZINC000217577482 241261438 /nfs/dbraw/zinc/26/14/38/241261438.db2.gz BGXQXIZOSFVNLB-HNNXBMFYSA-N 0 0 345.443 1.945 50 70 EDIARN Cn1cc(C(=O)N2CCN(c3ncc[nH]c3=O)CC2)c2ccccc21 ZINC000216937678 241225174 /nfs/dbraw/zinc/22/51/74/241225174.db2.gz RUWLKPAMAISZEY-UHFFFAOYSA-N 0 0 337.383 1.224 50 70 EDIARN CN(C)[C@H](C(=O)N1CCC(c2nnc[nH]2)CC1)c1ccc(F)cc1 ZINC000217944348 241286198 /nfs/dbraw/zinc/28/61/98/241286198.db2.gz CXYDDHVAXPYWSK-HNNXBMFYSA-N 0 0 331.395 1.953 50 70 EDIARN Cc1n[nH]c(C)c1CCNC(=O)CCNC(=O)c1ccc(C)cc1 ZINC000218325341 241315892 /nfs/dbraw/zinc/31/58/92/241315892.db2.gz MLWKVNZSOLTEBH-UHFFFAOYSA-N 0 0 328.416 1.814 50 70 EDIARN CC(C)[C@@H](CO)NC(=O)c1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000218384201 241316912 /nfs/dbraw/zinc/31/69/12/241316912.db2.gz DOSWJNOSKQCCCR-CYBMUJFWSA-N 0 0 331.372 1.595 50 70 EDIARN O=C(COc1cccnc1)N1CCCC[C@@H]1CCN1CCOCC1 ZINC000218554133 241331236 /nfs/dbraw/zinc/33/12/36/241331236.db2.gz WWUVTEPUMJZUTA-MRXNPFEDSA-N 0 0 333.432 1.564 50 70 EDIARN Cc1nc(C)c(CC(=O)NCc2cc(-c3ccccn3)no2)c(=O)[nH]1 ZINC000218683734 241339085 /nfs/dbraw/zinc/33/90/85/241339085.db2.gz ATFWILRGPPRXQD-UHFFFAOYSA-N 0 0 339.355 1.296 50 70 EDIARN O=C(N[C@H]1COC[C@@H]1N1CCOCC1)c1cc(Cl)ccc1F ZINC000218679107 241339528 /nfs/dbraw/zinc/33/95/28/241339528.db2.gz KLVDKCKXYAWFPP-KBPBESRZSA-N 0 0 328.771 1.309 50 70 EDIARN Cc1nnnn1CCC(=O)N(C)CCc1nc2cc(Cl)ccc2[nH]1 ZINC000218761741 241343727 /nfs/dbraw/zinc/34/37/27/241343727.db2.gz HTRKIPRWDDVHLA-UHFFFAOYSA-N 0 0 347.810 1.602 50 70 EDIARN CC(C)c1csc(C(=O)N2CCn3nc([C@@H](O)CO)cc3C2)n1 ZINC000217677863 241267409 /nfs/dbraw/zinc/26/74/09/241267409.db2.gz GNYLMVDBRKXZCH-ZDUSSCGKSA-N 0 0 336.417 1.145 50 70 EDIARN CC[C@@H](O)c1cc2n(n1)CCN(C(=O)CCc1nc(Cl)n[nH]1)C2 ZINC000217800875 241275153 /nfs/dbraw/zinc/27/51/53/241275153.db2.gz RRKGSFFLKFRGRI-LLVKDONJSA-N 0 0 338.799 1.073 50 70 EDIARN CSCc1ccc(C(=O)N2CCN(c3ncc[nH]c3=O)CC2)o1 ZINC000216942673 241224928 /nfs/dbraw/zinc/22/49/28/241224928.db2.gz LYXWHJZPANAIQK-UHFFFAOYSA-N 0 0 334.401 1.188 50 70 EDIARN CCS(=O)(=O)Nc1ccc(C(=O)N(C)Cc2cnccn2)cc1 ZINC000217028067 241233545 /nfs/dbraw/zinc/23/35/45/241233545.db2.gz NKAKRAYCMPLWQO-UHFFFAOYSA-N 0 0 334.401 1.510 50 70 EDIARN Cc1ncsc1CCNC(=O)COc1ccc(-n2cnnn2)cc1 ZINC000217213661 241241214 /nfs/dbraw/zinc/24/12/14/241241214.db2.gz DFWXPESQWUTWAQ-UHFFFAOYSA-N 0 0 344.400 1.165 50 70 EDIARN CSCC[C@H](NC(C)=O)C(=O)N1CCC(c2noc(C)n2)CC1 ZINC000217377695 241246402 /nfs/dbraw/zinc/24/64/02/241246402.db2.gz WUQCTYDCGZXXSV-ZDUSSCGKSA-N 0 0 340.449 1.342 50 70 EDIARN CN(Cc1cnccn1)C(=O)[C@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000217412243 241248010 /nfs/dbraw/zinc/24/80/10/241248010.db2.gz LIZOYKDYISUAQN-JKSUJKDBSA-N 0 0 330.432 1.864 50 70 EDIARN O=C(CCc1ccc(F)c(F)c1)N[C@@H]1CCOC[C@H]1OCCO ZINC000218120621 241299803 /nfs/dbraw/zinc/29/98/03/241299803.db2.gz OBBNIZBGPYQYKP-HUUCEWRRSA-N 0 0 329.343 1.180 50 70 EDIARN CN1C[C@]2(CCN(C(=O)Cn3ccc(=O)c4ccccc43)C2)OC1=O ZINC000218372499 241317210 /nfs/dbraw/zinc/31/72/10/241317210.db2.gz KELIMYMSTPAEDX-SFHVURJKSA-N 0 0 341.367 1.055 50 70 EDIARN Cc1ccc(O[C@H]2COCC[C@H]2NC(=O)CCCc2cn[nH]c2)cn1 ZINC000218675408 241336442 /nfs/dbraw/zinc/33/64/42/241336442.db2.gz KQRSVLPCBWTDKQ-SJORKVTESA-N 0 0 344.415 1.789 50 70 EDIARN COCC[C@H]1CN(C(=O)CN2CCOc3ccccc3C2)CCO1 ZINC000218664371 241337150 /nfs/dbraw/zinc/33/71/50/241337150.db2.gz MSTHPCBIMBDQHV-INIZCTEOSA-N 0 0 334.416 1.145 50 70 EDIARN Cn1cnnc1SCC(=O)N1CCC[C@@H](C(=O)c2ccccn2)C1 ZINC000218726537 241341629 /nfs/dbraw/zinc/34/16/29/241341629.db2.gz LGAYLWZQAFLZCG-GFCCVEGCSA-N 0 0 345.428 1.424 50 70 EDIARN NS(=O)(=O)c1ccc2c(c1)N(Cc1cnc3ccccn13)CCC2 ZINC000160545428 441895057 /nfs/dbraw/zinc/89/50/57/441895057.db2.gz HSHCKZTZXHGDEX-UHFFFAOYSA-N 0 0 342.424 1.935 50 70 EDIARN CC(C)c1cc([C@H]2CCCN2C(=O)c2c[nH]nc2-n2cnnn2)no1 ZINC000218295887 535370281 /nfs/dbraw/zinc/37/02/81/535370281.db2.gz RYFGVPPQIVPYCS-GFCCVEGCSA-N 0 0 342.363 1.474 50 70 EDIARN O=C(C[C@H]1C=CS(=O)(=O)C1)NCc1nnc(-c2ccccc2)[nH]1 ZINC000217123193 241236315 /nfs/dbraw/zinc/23/63/15/241236315.db2.gz HSOIXMAWUUBKFJ-LLVKDONJSA-N 0 0 332.385 1.036 50 70 EDIARN C[C@@H](Cn1cccn1)C(=O)NCCc1noc(-c2ccccc2)n1 ZINC000217180638 241238520 /nfs/dbraw/zinc/23/85/20/241238520.db2.gz QFMHJSMARSVMNT-ZDUSSCGKSA-N 0 0 325.372 1.928 50 70 EDIARN Cc1ccc(C(=O)N2CCC(C(=O)NC[C@H]3COCCO3)CC2)cc1 ZINC000217211806 241242158 /nfs/dbraw/zinc/24/21/58/241242158.db2.gz XIXPHKUUFRIYFG-KRWDZBQOSA-N 0 0 346.427 1.379 50 70 EDIARN C[C@](O)(CNC(=O)C(=O)Nc1ccon1)c1cc2ccccc2s1 ZINC000217517225 241254542 /nfs/dbraw/zinc/25/45/42/241254542.db2.gz VACYDDLPWUBLFF-INIZCTEOSA-N 0 0 345.380 1.852 50 70 EDIARN Nc1n[nH]c(C(=O)N[C@@H](CCn2cncn2)c2ccccc2)c1Cl ZINC000218119197 241300399 /nfs/dbraw/zinc/30/03/99/241300399.db2.gz BLBWMGHXWUJQRC-NSHDSACASA-N 0 0 345.794 1.798 50 70 EDIARN Cc1[nH]c2c3c(cccc3F)nn2c(=O)c1CCC(=O)NCCCO ZINC000218161547 241301591 /nfs/dbraw/zinc/30/15/91/241301591.db2.gz LSRWEDNGLNOOEO-UHFFFAOYSA-N 0 0 346.362 1.055 50 70 EDIARN Cc1nc(CCNC(=O)CN(C)Cc2cccnc2)nc2c1CCC2 ZINC000218588788 241332165 /nfs/dbraw/zinc/33/21/65/241332165.db2.gz IHZYFRHZAAUENS-UHFFFAOYSA-N 0 0 339.443 1.459 50 70 EDIARN O=C(Nc1ccnn1C[C@@H]1CCOC1)N1CCC[C@H]1Cn1ccnc1 ZINC000159451351 534428485 /nfs/dbraw/zinc/42/84/85/534428485.db2.gz RWFRDKLDIKJXKG-GJZGRUSLSA-N 0 0 344.419 1.813 50 70 EDIARN CCO[C@H]1CN(C(=O)c2cc(-c3ccc(OC)cc3)n[nH]2)C[C@@H]1O ZINC000218213442 535635527 /nfs/dbraw/zinc/63/55/27/535635527.db2.gz ACTMDKLXZWYHJB-HOTGVXAUSA-N 0 0 331.372 1.307 50 70 EDIARN CC[C@@H](C)[C@@H](CO)NC(=O)C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O ZINC000217837573 535650842 /nfs/dbraw/zinc/65/08/42/535650842.db2.gz MPPCSSMMSGIMJN-VHDGCEQUSA-N 0 0 347.415 1.020 50 70 EDIARN COc1ncccc1C(=O)N1CC[C@@H](Oc2cc(C)n(C)c(=O)c2)C1 ZINC000217772722 537152316 /nfs/dbraw/zinc/15/23/16/537152316.db2.gz YHSKDFBHVPGOBJ-CYBMUJFWSA-N 0 0 343.383 1.391 50 70 EDIARN O=C1CSC(=O)N1[C@H]1CCN(S(=O)(=O)c2ccccc2F)C1 ZINC000217787477 241275147 /nfs/dbraw/zinc/27/51/47/241275147.db2.gz PHQFUHKITYLMDH-VIFPVBQESA-N 0 0 344.389 1.284 50 70 EDIARN Cc1c[nH]nc1C1CCN(C(=O)CN(C)Cc2ccccn2)CC1 ZINC000216986887 241231521 /nfs/dbraw/zinc/23/15/21/241231521.db2.gz DRQAWABTJKNHHX-UHFFFAOYSA-N 0 0 327.432 1.951 50 70 EDIARN CCn1nc(C)c(CNC(=O)[C@H](C)Sc2nc(C)cc(=O)[nH]2)c1C ZINC000217024187 241232952 /nfs/dbraw/zinc/23/29/52/241232952.db2.gz AKTCVAQEJSEPKH-LBPRGKRZSA-N 0 0 349.460 1.709 50 70 EDIARN COc1ccc(C(=O)N2CCn3nc([C@H](C)O)cc3C2)c(OC)n1 ZINC000217166628 241239444 /nfs/dbraw/zinc/23/94/44/241239444.db2.gz CAMBVBVZOYZCLL-JTQLQIEISA-N 0 0 332.360 1.005 50 70 EDIARN O=C(Cc1ccc(C(F)(F)F)cc1)NCCc1noc(CO)n1 ZINC000218414225 241322170 /nfs/dbraw/zinc/32/21/70/241322170.db2.gz SULXOAHDEYHTTJ-UHFFFAOYSA-N 0 0 329.278 1.482 50 70 EDIARN Cc1noc(C)c1CO[C@@H]1COCC[C@H]1NC(=O)c1cnc(C)nc1 ZINC000218500484 241326386 /nfs/dbraw/zinc/32/63/86/241326386.db2.gz DFRXTFBFNUOUMZ-HZPDHXFCSA-N 0 0 346.387 1.494 50 70 EDIARN CC(=O)N1CC(Nc2ccc3c(c2)N(S(C)(=O)=O)CCC3)=CC1=O ZINC000218509374 241327944 /nfs/dbraw/zinc/32/79/44/241327944.db2.gz WGSGYMDVBBJXEQ-UHFFFAOYSA-N 0 0 349.412 1.083 50 70 EDIARN Cn1cc(C(=O)N2CCn3nc([C@@H](O)CO)cc3C2)c2ccccc21 ZINC000217895946 241281467 /nfs/dbraw/zinc/28/14/67/241281467.db2.gz ZBCKLNLRAHXQIR-KRWDZBQOSA-N 0 0 340.383 1.057 50 70 EDIARN Cn1cccc1[C@@H](O)CCNS(=O)(=O)c1ccc(F)c(F)c1 ZINC000217941967 241286099 /nfs/dbraw/zinc/28/60/99/241286099.db2.gz HSPWXVUGOMJITH-AWEZNQCLSA-N 0 0 330.356 1.705 50 70 EDIARN O=C(N[C@H](CO)c1ccccc1)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000218297963 241312314 /nfs/dbraw/zinc/31/23/14/241312314.db2.gz BTEJUQAPUHHZFT-GOEBONIOSA-N 0 0 328.368 1.478 50 70 EDIARN Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1coc2ccc(Cl)cc2c1=O ZINC000218362852 241317580 /nfs/dbraw/zinc/31/75/80/241317580.db2.gz QQTBLSHYUPPBRK-VIFPVBQESA-N 0 0 347.758 1.779 50 70 EDIARN Cc1nc2ncccn2c1C(=O)N[C@H]1CCOC[C@H]1C1CCOCC1 ZINC000218688894 241339236 /nfs/dbraw/zinc/33/92/36/241339236.db2.gz AKXVWJBULMHNEI-GJZGRUSLSA-N 0 0 344.415 1.599 50 70 EDIARN O=C(CN1CCOc2ccccc2C1)N1CCC(n2cnnc2)CC1 ZINC000217588515 241260236 /nfs/dbraw/zinc/26/02/36/241260236.db2.gz RXEYOJJMIVSZRQ-UHFFFAOYSA-N 0 0 341.415 1.336 50 70 EDIARN O=C(/C=C/c1ccco1)N1CC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 ZINC000217719830 241270677 /nfs/dbraw/zinc/27/06/77/241270677.db2.gz BDDAIWFTHRPLMJ-FHFZEBMASA-N 0 0 326.352 1.455 50 70 EDIARN CSCc1ccc(C(=O)NCc2nc(-c3cnccn3)n[nH]2)o1 ZINC000217795197 241274124 /nfs/dbraw/zinc/27/41/24/241274124.db2.gz VIRTXJLGPHCXEQ-UHFFFAOYSA-N 0 0 330.373 1.648 50 70 EDIARN O=C(c1ccc(Cn2ccnc2)o1)N1CCCn2nc(CO)cc2C1 ZINC000216914201 241223505 /nfs/dbraw/zinc/22/35/05/241223505.db2.gz QPISMJZSOKRXRT-UHFFFAOYSA-N 0 0 341.371 1.259 50 70 EDIARN Cc1cccc2[nH]c(COCC(=O)N[C@H](C)c3cnn(C)c3)nc21 ZINC000217193779 241242721 /nfs/dbraw/zinc/24/27/21/241242721.db2.gz SPYNKIKXWAQREY-GFCCVEGCSA-N 0 0 327.388 1.999 50 70 EDIARN CSCC[C@@H](CO)NC(=O)COc1ccc2c(c1)NC(=O)CC2 ZINC000218129648 241299223 /nfs/dbraw/zinc/29/92/23/241299223.db2.gz IUYRXWYGNQZEIE-LBPRGKRZSA-N 0 0 338.429 1.180 50 70 EDIARN O=C(NCc1csc(N2CCOCC2)n1)[C@H]1Cc2ccccc2O1 ZINC000218157538 241301244 /nfs/dbraw/zinc/30/12/44/241301244.db2.gz XOOTWXQDEGVSIL-OAHLLOKOSA-N 0 0 345.424 1.600 50 70 EDIARN CN1CC[C@@H](NC(=O)NCCn2ccnc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000160708164 441912206 /nfs/dbraw/zinc/91/22/06/441912206.db2.gz WCGVJUVBPOECAZ-CVEARBPZSA-N 0 0 349.385 1.906 50 70 EDIARN O=C(c1c(F)cccc1F)N1Cc2cnc(N3CCOCC3)nc2C1 ZINC000217613106 241262607 /nfs/dbraw/zinc/26/26/07/241262607.db2.gz KVYQSUUMWYUNJP-UHFFFAOYSA-N 0 0 346.337 1.747 50 70 EDIARN O=C(CCc1ccc(Cl)c(F)c1)N1CC(N2C(=O)CCC2=O)C1 ZINC000217716383 241271085 /nfs/dbraw/zinc/27/10/85/241271085.db2.gz QMZUIRKCLUDMBZ-UHFFFAOYSA-N 0 0 338.766 1.772 50 70 EDIARN Cc1cc(C)n(CCCNC(=O)[C@@H](O)COc2ccccc2C)n1 ZINC000216918833 241223878 /nfs/dbraw/zinc/22/38/78/241223878.db2.gz NTFIKHSQYCCJRX-INIZCTEOSA-N 0 0 331.416 1.755 50 70 EDIARN Cc1nnnn1CCC(=O)NCc1csc(Cc2ccccc2)n1 ZINC000217118956 241236079 /nfs/dbraw/zinc/23/60/79/241236079.db2.gz GHHWFZWAMSQXPH-UHFFFAOYSA-N 0 0 342.428 1.735 50 70 EDIARN COCCN1C[C@@H](Cc2ccc(N3CCCCCC3)nn2)CC1=O ZINC000218706028 241339390 /nfs/dbraw/zinc/33/93/90/241339390.db2.gz KXHSZACCSVBJOY-HNNXBMFYSA-N 0 0 332.448 1.894 50 70 EDIARN CCN1Cc2ccccc2C[C@@H]1C(=O)NCCSc1nncn1C ZINC000217658683 535784404 /nfs/dbraw/zinc/78/44/04/535784404.db2.gz RVXBWBKSBARBPK-OAHLLOKOSA-N 0 0 345.472 1.470 50 70 EDIARN O=C(c1ccc(Br)o1)N1CC(N2C(=O)CSC2=O)C1 ZINC000217746410 241273134 /nfs/dbraw/zinc/27/31/34/241273134.db2.gz PDFWITFCKIRCMY-UHFFFAOYSA-N 0 0 345.174 1.562 50 70 EDIARN O=C(Cn1ncc2ccccc21)NCCc1noc([C@H]2CCCO2)n1 ZINC000217370427 241245896 /nfs/dbraw/zinc/24/58/96/241245896.db2.gz OKVCIQNUGPAHAR-CQSZACIVSA-N 0 0 341.371 1.630 50 70 EDIARN CN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1cc(-c3ccsc3)n[nH]1)C2 ZINC000217403483 241249065 /nfs/dbraw/zinc/24/90/65/241249065.db2.gz PRANAAJGYRTPSF-PWSUYJOCSA-N 0 0 330.413 1.831 50 70 EDIARN CCOCC(=O)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1 ZINC000217839636 241277788 /nfs/dbraw/zinc/27/77/88/241277788.db2.gz VOFGWVMAJJUJQJ-LBPRGKRZSA-N 0 0 331.376 1.344 50 70 EDIARN O=S(=O)(NCCn1ccnc1-c1ccccn1)c1cccnc1 ZINC000217863766 241279255 /nfs/dbraw/zinc/27/92/55/241279255.db2.gz LKKAZSOIDQUULP-UHFFFAOYSA-N 0 0 329.385 1.319 50 70 EDIARN Cc1nnc(CN(C)C(=O)c2cn(C)c3ccc(C)cc3c2=O)o1 ZINC000217882234 241280516 /nfs/dbraw/zinc/28/05/16/241280516.db2.gz AEFVRPWHYAQXML-UHFFFAOYSA-N 0 0 326.356 1.811 50 70 EDIARN Cc1ncsc1CCC(=O)N[C@H](c1cnn(C)c1)[C@H]1C[C@@H](O)C1 ZINC000218116650 241297846 /nfs/dbraw/zinc/29/78/46/241297846.db2.gz NRNSZXFSXWYQSB-RBOXIYTFSA-N 0 0 334.445 1.746 50 70 EDIARN O=C(N[C@@H]1COCC[C@@H]1OCc1ccccn1)c1n[nH]c2c1CCC2 ZINC000218169140 241302973 /nfs/dbraw/zinc/30/29/73/241302973.db2.gz CWMIMKVPDZWREN-CVEARBPZSA-N 0 0 342.399 1.398 50 70 EDIARN CN1CCc2n[nH]c(C(=O)N[C@@H](c3ccccn3)[C@H]3C[C@@H](O)C3)c2C1 ZINC000218606183 241334491 /nfs/dbraw/zinc/33/44/91/241334491.db2.gz PDRBZIPDVCQELF-XHBSWPGZSA-N 0 0 341.415 1.035 50 70 EDIARN CCn1cnnc1[C@@H]1CCCN([C@@H](C)C(=O)Nc2cc(C)no2)C1 ZINC000161284896 441981174 /nfs/dbraw/zinc/98/11/74/441981174.db2.gz FIEOLQWJSJRAPI-QWHCGFSZSA-N 0 0 332.408 1.801 50 70 EDIARN O=C(/C=C/c1ccco1)N1[C@@H]2CC[C@H]1CC(N1C(=O)CCC1=O)C2 ZINC000217759999 241272801 /nfs/dbraw/zinc/27/28/01/241272801.db2.gz IVKFQVOQGOGPTH-AMTGAGGHSA-N 0 0 328.368 1.964 50 70 EDIARN O=C(c1cc(F)ccc1F)N1CCN(c2ccc3nccn3n2)CC1 ZINC000216980934 241229570 /nfs/dbraw/zinc/22/95/70/241229570.db2.gz QUMGSCBRKXHSRF-UHFFFAOYSA-N 0 0 343.337 1.970 50 70 EDIARN Cn1ccnc1CN1CCN(C(=O)[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000217207578 241240123 /nfs/dbraw/zinc/24/01/23/241240123.db2.gz LRSFRPWCBDUEOX-MRXNPFEDSA-N 0 0 348.834 1.451 50 70 EDIARN Cc1nc(N2CCCC2)nc(N2CCCn3nc(CO)cc3C2)c1C ZINC000217376531 241247282 /nfs/dbraw/zinc/24/72/82/241247282.db2.gz UYDHHKQELQLWRA-UHFFFAOYSA-N 0 0 342.447 1.793 50 70 EDIARN Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000217469774 241252078 /nfs/dbraw/zinc/25/20/78/241252078.db2.gz KSNBKOLUPOILGX-GFCCVEGCSA-N 0 0 347.802 1.584 50 70 EDIARN COC(=O)CS[C@@H]1CCN(C(=O)c2cccnc2SC)C1 ZINC000217553408 241257939 /nfs/dbraw/zinc/25/79/39/241257939.db2.gz YYTNUKGFJYJRCU-SNVBAGLBSA-N 0 0 326.443 1.924 50 70 EDIARN Cc1ccc(O[C@H]2COCC[C@H]2NC(=O)c2ccncc2F)cn1 ZINC000218454890 241324669 /nfs/dbraw/zinc/32/46/69/241324669.db2.gz INDPIRBZBNTKNC-CVEARBPZSA-N 0 0 331.347 1.890 50 70 EDIARN C[C@@H](Cc1ccccn1)NC(=O)COc1ccc(-n2cnnn2)cc1 ZINC000217878674 241281913 /nfs/dbraw/zinc/28/19/13/241281913.db2.gz RPEHMTHXOVWICB-ZDUSSCGKSA-N 0 0 338.371 1.184 50 70 EDIARN CN1C[C@@]2(CCN(C(=O)Cn3ccc(=O)c4ccccc43)C2)OC1=O ZINC000218372439 241317863 /nfs/dbraw/zinc/31/78/63/241317863.db2.gz KELIMYMSTPAEDX-GOSISDBHSA-N 0 0 341.367 1.055 50 70 EDIARN CC[C@@H](C)[C@@H](CO)NC(=O)Cn1cnc2sc(C)c(C)c2c1=O ZINC000218353278 535651504 /nfs/dbraw/zinc/65/15/04/535651504.db2.gz HEDSWBSKFDADFW-BXKDBHETSA-N 0 0 337.445 1.598 50 70 EDIARN O=C(Cc1ccsc1)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 ZINC000217734675 241272843 /nfs/dbraw/zinc/27/28/43/241272843.db2.gz ZWYZXEVWJGVGRZ-KBPBESRZSA-N 0 0 330.409 1.453 50 70 EDIARN O=C(NCC[C@@H]1CCCCO1)c1ccccc1N1CCC(=O)NC1=O ZINC000216930484 241226175 /nfs/dbraw/zinc/22/61/75/241226175.db2.gz OFUMYLGFRYRYFR-ZDUSSCGKSA-N 0 0 345.399 1.822 50 70 EDIARN O=C(C[C@H]1C=CS(=O)(=O)C1)NCc1cnn(Cc2ccccc2)c1 ZINC000217000825 241228775 /nfs/dbraw/zinc/22/87/75/241228775.db2.gz KQLWYPUMCWUPMD-OAHLLOKOSA-N 0 0 345.424 1.496 50 70 EDIARN O=C(CN1CCC[C@@H](O)C1)NCc1cnn(-c2cccc(F)c2)c1 ZINC000217052448 241232531 /nfs/dbraw/zinc/23/25/31/241232531.db2.gz JDENFVPHPGGYAZ-MRXNPFEDSA-N 0 0 332.379 1.084 50 70 EDIARN O=S(=O)(CCN1CCCn2nc(CO)cc2C1)c1ccccc1 ZINC000217063875 241236700 /nfs/dbraw/zinc/23/67/00/241236700.db2.gz CMJMJCOVYZYOIE-UHFFFAOYSA-N 0 0 335.429 1.055 50 70 EDIARN O=C(Cc1cn2ccsc2n1)N1CCCn2nc(CO)cc2C1 ZINC000217160718 241238729 /nfs/dbraw/zinc/23/87/29/241238729.db2.gz ACFNLTLTPVMREB-UHFFFAOYSA-N 0 0 331.401 1.060 50 70 EDIARN O=C(C[C@H]1C=CS(=O)(=O)C1)NCCc1noc(-c2ccccc2)n1 ZINC000217214891 241242883 /nfs/dbraw/zinc/24/28/83/241242883.db2.gz JDDBUIFWBCSNPU-GFCCVEGCSA-N 0 0 347.396 1.344 50 70 EDIARN O=C(NCC[C@@H](O)C1CCOCC1)c1ccc(Br)o1 ZINC000217919531 241283914 /nfs/dbraw/zinc/28/39/14/241283914.db2.gz ANGHGOJVIWNBJC-SNVBAGLBSA-N 0 0 332.194 1.950 50 70 EDIARN Cc1noc([C@@H]2CCCCN2C(=O)Cn2c(C)cc(C)nc2=O)n1 ZINC000218176179 241303668 /nfs/dbraw/zinc/30/36/68/241303668.db2.gz UNHNEJJHLCIVBI-ZDUSSCGKSA-N 0 0 331.376 1.305 50 70 EDIARN O=C(Cn1cccn1)Nc1cnn(C[C@@H]2COc3ccccc3O2)c1 ZINC000218276397 241311021 /nfs/dbraw/zinc/31/10/21/241311021.db2.gz DTDJYXDJZOYEEF-CQSZACIVSA-N 0 0 339.355 1.558 50 70 EDIARN COC[C@@H]1[C@H](NC(=O)c2cc(C)nc3onc(C)c32)[C@@H]2CCO[C@H]12 ZINC000218329343 241315490 /nfs/dbraw/zinc/31/54/90/241315490.db2.gz FIBNQEUPKGWPJE-BTQDYEIMSA-N 0 0 331.372 1.619 50 70 EDIARN CCS(=O)(=O)C[C@H](C)NC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000159913121 225301781 /nfs/dbraw/zinc/30/17/81/225301781.db2.gz WLYXDJSBFVGQOM-NSHDSACASA-N 0 0 328.438 1.122 50 70 EDIARN CC1(C)NC(=O)N(CC(=O)NCc2ccc3ccccc3n2)C1=O ZINC000217947260 534974092 /nfs/dbraw/zinc/97/40/92/534974092.db2.gz PCGUBOXYUUGDCI-UHFFFAOYSA-N 0 0 326.356 1.181 50 70 EDIARN CC1(C)NC(=O)N(CC(=O)N[C@H]2[C@@H](C3CCCC3)[C@H]3OCC[C@@H]23)C1=O ZINC000218053410 534976427 /nfs/dbraw/zinc/97/64/27/534976427.db2.gz TWIDSWMFTVAWFZ-MYPMTAMASA-N 0 0 349.431 1.027 50 70 EDIARN CCN1Cc2ccccc2C[C@H]1C(=O)NCCSc1nncn1C ZINC000217658766 535784630 /nfs/dbraw/zinc/78/46/30/535784630.db2.gz RVXBWBKSBARBPK-HNNXBMFYSA-N 0 0 345.472 1.470 50 70 EDIARN COC[C@H]1[C@@H](NC(=O)Cc2ccc(O)c(Cl)c2)[C@@H]2CCO[C@H]12 ZINC000218145289 536612438 /nfs/dbraw/zinc/61/24/38/536612438.db2.gz PZCFVUWLIORTPW-GREKMHCPSA-N 0 0 325.792 1.754 50 70 EDIARN Cc1cn2cc(C(=O)N3CCCn4nc(CO)cc4C3)ccc2n1 ZINC000217572672 241261541 /nfs/dbraw/zinc/26/15/41/241261541.db2.gz KTOGONCZAMXRLG-UHFFFAOYSA-N 0 0 325.372 1.378 50 70 EDIARN O=C(c1scc2c1OCCO2)N1CCCO[C@H](Cn2cccn2)C1 ZINC000217841395 241276747 /nfs/dbraw/zinc/27/67/47/241276747.db2.gz UJBZIPBDCDKDNV-LBPRGKRZSA-N 0 0 349.412 1.647 50 70 EDIARN COCCNc1nc2cc(C(=O)NC[C@H]3CCCCO3)ccc2n1C ZINC000217640390 241265972 /nfs/dbraw/zinc/26/59/72/241265972.db2.gz LKEZYDHAXSQXLB-CQSZACIVSA-N 0 0 346.431 1.931 50 70 EDIARN O=C(/C=C/c1cccs1)N1CC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 ZINC000217720692 241270354 /nfs/dbraw/zinc/27/03/54/241270354.db2.gz WALGZJANYPUMLK-FHFZEBMASA-N 0 0 342.420 1.923 50 70 EDIARN Cc1noc(C)c1C(=O)N1CC[C@@H](Oc2cc(C)n(C)c(=O)c2)C1 ZINC000217773130 241275515 /nfs/dbraw/zinc/27/55/15/241275515.db2.gz ZRKZCCPAKXXCIT-CYBMUJFWSA-N 0 0 331.372 1.592 50 70 EDIARN O=C(C[C@@H]1C=CS(=O)(=O)C1)NCCc1noc(-c2ccccc2)n1 ZINC000217214885 241240840 /nfs/dbraw/zinc/24/08/40/241240840.db2.gz JDDBUIFWBCSNPU-LBPRGKRZSA-N 0 0 347.396 1.344 50 70 EDIARN O=C(NCC[C@H](O)c1ccsc1)C(=O)NCc1ccc(F)cc1 ZINC000217541714 241256237 /nfs/dbraw/zinc/25/62/37/241256237.db2.gz GLSOZTNYAVJQQS-AWEZNQCLSA-N 0 0 336.388 1.743 50 70 EDIARN NC(=O)c1ccc(-c2nc3c([nH]2)CN(Cc2cncnc2)CC3)cc1 ZINC000218146443 241302064 /nfs/dbraw/zinc/30/20/64/241302064.db2.gz UZKZVKPZZULIAF-UHFFFAOYSA-N 0 0 334.383 1.524 50 70 EDIARN O=C(C[C@H]1C=CS(=O)(=O)C1)NCCc1nc2c(s1)CCC2 ZINC000218285035 241310863 /nfs/dbraw/zinc/31/08/63/241310863.db2.gz JDYTYQWFEOEXDQ-SNVBAGLBSA-N 0 0 326.443 1.239 50 70 EDIARN COCCN1C[C@H](Cc2ccc(N3CCCCCC3)nn2)CC1=O ZINC000218706098 241338636 /nfs/dbraw/zinc/33/86/36/241338636.db2.gz KXHSZACCSVBJOY-OAHLLOKOSA-N 0 0 332.448 1.894 50 70 EDIARN CC(=O)c1c(C)nn(CC(=O)N2CCC[C@@H](c3ccncn3)C2)c1C ZINC000218747894 241344942 /nfs/dbraw/zinc/34/49/42/241344942.db2.gz IBDWEJGJKDMMIF-OAHLLOKOSA-N 0 0 341.415 1.899 50 70 EDIARN O=C(NCc1ccc(O)c(F)c1)N1CCN(Cc2ccccn2)CC1 ZINC000160338179 225390500 /nfs/dbraw/zinc/39/05/00/225390500.db2.gz QALQQHTUGPSNFP-UHFFFAOYSA-N 0 0 344.390 1.954 50 70 EDIARN COC(=O)[C@@H]1C[C@@H](OC)CN1C(=O)C1(c2ccccc2)CCOCC1 ZINC000217603197 443057193 /nfs/dbraw/zinc/05/71/93/443057193.db2.gz AEUBUWQOXQRXAM-CVEARBPZSA-N 0 0 347.411 1.524 50 70 EDIARN Cc1ccccc1C(=O)N1CCN(c2cc(-n3cncn3)ncn2)CC1 ZINC000218615521 486546013 /nfs/dbraw/zinc/54/60/13/486546013.db2.gz MQPKJFAUXHGGAR-UHFFFAOYSA-N 0 0 349.398 1.328 50 70 EDIARN COC(=O)CS[C@H]1CCN(S(=O)(=O)c2cc(C)ccc2C)C1 ZINC000217567007 241260902 /nfs/dbraw/zinc/26/09/02/241260902.db2.gz MNHZDXLNULSTKP-ZDUSSCGKSA-N 0 0 343.470 1.973 50 70 EDIARN CCc1ccc(S(=O)(=O)N2CC[C@H](SCC(=O)OC)C2)cc1 ZINC000217566786 241261135 /nfs/dbraw/zinc/26/11/35/241261135.db2.gz SZJRAJSUXOSDRL-ZDUSSCGKSA-N 0 0 343.470 1.918 50 70 EDIARN O=C(c1ccccc1C(F)(F)F)N1CC(N2C(=O)CCC2=O)C1 ZINC000217715706 241270388 /nfs/dbraw/zinc/27/03/88/241270388.db2.gz ONIVJSDUFTYPRZ-UHFFFAOYSA-N 0 0 326.274 1.679 50 70 EDIARN O=C(CSc1ncccn1)N[C@@H]1CCCN(c2cnccn2)C1 ZINC000216963201 241229426 /nfs/dbraw/zinc/22/94/26/241229426.db2.gz AANOXXUZPQWVMB-GFCCVEGCSA-N 0 0 330.417 1.144 50 70 EDIARN COc1ccc(-c2nc3c([nH]2)CCN(C(=O)[C@H]2CCCO2)C3)cn1 ZINC000218486375 241325812 /nfs/dbraw/zinc/32/58/12/241325812.db2.gz DVULGHTXRLGBEU-CQSZACIVSA-N 0 0 328.372 1.544 50 70 EDIARN O=S(=O)(NCCn1ccc(-c2ccsc2)n1)c1cccnc1 ZINC000217892068 241280466 /nfs/dbraw/zinc/28/04/66/241280466.db2.gz ORDSRWYTJMEVRN-UHFFFAOYSA-N 0 0 334.426 1.985 50 70 EDIARN COCCn1cnnc1CN(C)C(=O)CCc1ccc(F)c(F)c1 ZINC000218602925 241332801 /nfs/dbraw/zinc/33/28/01/241332801.db2.gz QPUCTGBRONMNTI-UHFFFAOYSA-N 0 0 338.358 1.794 50 70 EDIARN O=C(NCc1noc(C2CC2)n1)C1(N2CCOCC2)CCCCC1 ZINC000218761555 241343965 /nfs/dbraw/zinc/34/39/65/241343965.db2.gz TWZQCIVQVJUGIY-UHFFFAOYSA-N 0 0 334.420 1.598 50 70 EDIARN Cc1ccc2c(c1)c(C(=O)N1CCCn3nc(CO)cc3C1)nn2C ZINC000217199226 278892519 /nfs/dbraw/zinc/89/25/19/278892519.db2.gz KHOJFFKPYNAOPG-UHFFFAOYSA-N 0 0 339.399 1.617 50 70 EDIARN CC[C@@H](C(=O)NCc1nnc(-c2ccccc2)[nH]1)N1CCOCC1 ZINC000218379003 535422387 /nfs/dbraw/zinc/42/23/87/535422387.db2.gz PUOYLQPZKWFAOK-AWEZNQCLSA-N 0 0 329.404 1.199 50 70 EDIARN CNC(=O)c1ccc(CNC(=O)[C@@H]2CCCCN2C(=O)OC)cc1 ZINC000218590507 536426652 /nfs/dbraw/zinc/42/66/52/536426652.db2.gz CITSWUBVNBTOIY-AWEZNQCLSA-N 0 0 333.388 1.283 50 70 EDIARN O=C(/C=C/c1cccs1)N1Cc2cnc(N3CCOCC3)nc2C1 ZINC000217607864 241263048 /nfs/dbraw/zinc/26/30/48/241263048.db2.gz MAILYENZBKVQKP-ONEGZZNKSA-N 0 0 342.424 1.930 50 70 EDIARN O=C(CN1CCOc2ccccc2C1)NCc1cnc2cnccn12 ZINC000217642447 241266340 /nfs/dbraw/zinc/26/63/40/241266340.db2.gz KOKMKJHVUJXOKB-UHFFFAOYSA-N 0 0 337.383 1.240 50 70 EDIARN CC[C@@H](O)c1cc2n(n1)CCN(C(=O)Cn1cc(Cl)c(C)n1)C2 ZINC000217197823 241241872 /nfs/dbraw/zinc/24/18/72/241241872.db2.gz RMVPNGOFRFUYSE-CQSZACIVSA-N 0 0 337.811 1.527 50 70 EDIARN Cc1cccc2[nH]c(COCC(=O)N(C)C[C@@H]3COCCO3)nc21 ZINC000217442515 241250574 /nfs/dbraw/zinc/25/05/74/241250574.db2.gz KKXWQJYRUCUCCM-CYBMUJFWSA-N 0 0 333.388 1.262 50 70 EDIARN Cc1nnc([C@@H]2CCCN2C(=O)CCN2Cc3ccccc3C2=O)[nH]1 ZINC000217510144 241255549 /nfs/dbraw/zinc/25/55/49/241255549.db2.gz SBZXGPOWCZDHAQ-HNNXBMFYSA-N 0 0 339.399 1.823 50 70 EDIARN C[C@H](O)c1cc2n(n1)CCCN(C(=O)COCc1ccccc1)C2 ZINC000217545892 241256678 /nfs/dbraw/zinc/25/66/78/241256678.db2.gz LIWFKZWFRPARLR-AWEZNQCLSA-N 0 0 329.400 1.886 50 70 EDIARN Cc1nn(C)c(C(=O)N[C@H]2CCOC[C@H]2C2CCOCC2)c1Cl ZINC000218086581 241295683 /nfs/dbraw/zinc/29/56/83/241295683.db2.gz QWSTVOFIGRGUEJ-STQMWFEESA-N 0 0 341.839 1.943 50 70 EDIARN CSCC[C@@H](CO)NC(=O)CCCN1Cc2ccccc2C1=O ZINC000218248827 241307862 /nfs/dbraw/zinc/30/78/62/241307862.db2.gz MLYMHPDZWXKEHW-AWEZNQCLSA-N 0 0 336.457 1.653 50 70 EDIARN COc1ccnc(CN2CCn3nc([C@@H](O)C4CC4)cc3C2)c1OC ZINC000218320271 241314893 /nfs/dbraw/zinc/31/48/93/241314893.db2.gz AMGBDVIUQRRBGK-KRWDZBQOSA-N 0 0 344.415 1.755 50 70 EDIARN O=C(C[C@H]1CN(Cc2ccccc2)CCO1)NCCc1cn[nH]c1 ZINC000218646509 241336420 /nfs/dbraw/zinc/33/64/20/241336420.db2.gz HNYKVBDHOHAJTQ-KRWDZBQOSA-N 0 0 328.416 1.360 50 70 EDIARN COc1ccc(C(=O)N[C@H]2CCOC[C@H]2C2CCOCC2)cc1O ZINC000218446180 536770028 /nfs/dbraw/zinc/77/00/28/536770028.db2.gz YFWCTHGEEUXKFU-GJZGRUSLSA-N 0 0 335.400 1.962 50 70 EDIARN Cc1noc(C)c1C(=O)N1Cc2cnc(N3CCOCC3)nc2C1 ZINC000217612900 241263593 /nfs/dbraw/zinc/26/35/93/241263593.db2.gz FNSQZHKQHYGLTL-UHFFFAOYSA-N 0 0 329.360 1.074 50 70 EDIARN Cc1ccc(CNC(=O)c2cn(C[C@@H](O)c3ccccc3F)nn2)o1 ZINC000217475908 241253146 /nfs/dbraw/zinc/25/31/46/241253146.db2.gz AKAVNTVCVFJJAF-MRXNPFEDSA-N 0 0 344.346 1.982 50 70 EDIARN Cc1nc(CCNC(=O)Cc2ccc3c(c2)OCO3)nc2c1CCC2 ZINC000218488383 241326719 /nfs/dbraw/zinc/32/67/19/241326719.db2.gz OSMLFBGIACGOAG-UHFFFAOYSA-N 0 0 339.395 1.904 50 70 EDIARN Cn1cc(C(=O)N2CCn3nc([C@H](O)CO)cc3C2)c2ccccc21 ZINC000217896020 241281252 /nfs/dbraw/zinc/28/12/52/241281252.db2.gz ZBCKLNLRAHXQIR-QGZVFWFLSA-N 0 0 340.383 1.057 50 70 EDIARN O=C(NCc1ccco1)N[C@@H]1CCOC[C@H]1OCc1ccccn1 ZINC000218027761 241291220 /nfs/dbraw/zinc/29/12/20/241291220.db2.gz KEFLXSQWLSGSIQ-HZPDHXFCSA-N 0 0 331.372 1.848 50 70 EDIARN COc1ccc2ncc(C(=O)NCc3nnc4ccccn43)c(O)c2c1 ZINC000218266575 241310741 /nfs/dbraw/zinc/31/07/41/241310741.db2.gz LRVPTCNXPSEBPZ-UHFFFAOYSA-N 0 0 349.350 1.922 50 70 EDIARN Cn1nccc1[C@@H](O)c1cc2n(n1)CCN(C1Cc3ccccc3C1)C2 ZINC000218366988 241317638 /nfs/dbraw/zinc/31/76/38/241317638.db2.gz IEJWKNCNHDUYSV-FQEVSTJZSA-N 0 0 349.438 1.681 50 70 EDIARN Cc1cc([C@H]2CCCN2C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)on1 ZINC000218592065 241332625 /nfs/dbraw/zinc/33/26/25/241332625.db2.gz QOZLOESKISKICM-CYBMUJFWSA-N 0 0 340.339 1.490 50 70 EDIARN CN(Cc1cnn(C)c1)C(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000159542494 441819737 /nfs/dbraw/zinc/81/97/37/441819737.db2.gz CHXCFDQCUBYFFS-CYBMUJFWSA-N 0 0 348.838 1.889 50 70 EDIARN CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)c1ccc2ncccc2c1 ZINC000160497328 441890498 /nfs/dbraw/zinc/89/04/98/441890498.db2.gz VNGAIZPSYQNFDG-GDBMZVCRSA-N 0 0 347.440 1.683 50 70 EDIARN COC(=O)CS[C@H]1CCN(C(=O)c2cnn(-c3ccccc3)n2)C1 ZINC000217562895 241259517 /nfs/dbraw/zinc/25/95/17/241259517.db2.gz ZIRJVPGZDNHNDP-ZDUSSCGKSA-N 0 0 346.412 1.388 50 70 EDIARN CC(C)Oc1cc(N2CCCn3nc([C@@H](C)O)cc3C2)nc(N)n1 ZINC000217689892 241268644 /nfs/dbraw/zinc/26/86/44/241268644.db2.gz UYDCASYMFNREIX-LLVKDONJSA-N 0 0 332.408 1.506 50 70 EDIARN Cc1cc(OC2CN(C(=O)c3ccc4c(c3)OCO4)C2)cc(=O)n1C ZINC000217755171 241273426 /nfs/dbraw/zinc/27/34/26/241273426.db2.gz GBUOJEAMNAPHDX-UHFFFAOYSA-N 0 0 342.351 1.326 50 70 EDIARN CCOC(=O)CCNC(=O)CCNC(=O)c1ccccc1Cl ZINC000217771655 241275135 /nfs/dbraw/zinc/27/51/35/241275135.db2.gz FTRBTXDLAPZKFM-UHFFFAOYSA-N 0 0 326.780 1.529 50 70 EDIARN O=C(c1cccc2c1OCCO2)N1CCCn2nc(CO)cc2C1 ZINC000216936765 241225568 /nfs/dbraw/zinc/22/55/68/241225568.db2.gz LRDSYGGERONGQX-UHFFFAOYSA-N 0 0 329.356 1.193 50 70 EDIARN O=C(C[C@@H]1C=CS(=O)(=O)C1)NCc1nnc(-c2ccccc2)[nH]1 ZINC000217123180 241236910 /nfs/dbraw/zinc/23/69/10/241236910.db2.gz HSOIXMAWUUBKFJ-NSHDSACASA-N 0 0 332.385 1.036 50 70 EDIARN O=C(c1cnc(CN2CCCC2)s1)N1CCn2nc(CO)cc2C1 ZINC000217166081 241237976 /nfs/dbraw/zinc/23/79/76/241237976.db2.gz LHERSFXLLJQPOW-UHFFFAOYSA-N 0 0 347.444 1.084 50 70 EDIARN Cc1ccc2[nH]c(CCN3CCn4nc([C@H](O)CO)cc4C3)nc2c1 ZINC000217494397 241253235 /nfs/dbraw/zinc/25/32/35/241253235.db2.gz FRJIUOYFLGFJEE-QGZVFWFLSA-N 0 0 341.415 1.152 50 70 EDIARN CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)c1c[nH]c(=O)c(Cl)c1 ZINC000218485051 241326910 /nfs/dbraw/zinc/32/69/10/241326910.db2.gz AMEYNMMHSOAWKO-KGLIPLIRSA-N 0 0 340.807 1.898 50 70 EDIARN O=C(CN1CCCC1=O)N[C@@H]1COCC[C@@H]1Oc1cccc(F)c1 ZINC000218489077 241327367 /nfs/dbraw/zinc/32/73/67/241327367.db2.gz GOQRXTWHZUSAHU-CABCVRRESA-N 0 0 336.363 1.101 50 70 EDIARN COc1ccc(F)cc1S(=O)(=O)NCC[C@@H](O)c1cccn1C ZINC000217942883 241286144 /nfs/dbraw/zinc/28/61/44/241286144.db2.gz ZJVKYWGCITXHAG-CYBMUJFWSA-N 0 0 342.392 1.575 50 70 EDIARN O=C(NCCc1ccncc1)C1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000218118314 241299268 /nfs/dbraw/zinc/29/92/68/241299268.db2.gz REYJNNXWNMFZLW-INIZCTEOSA-N 0 0 331.416 1.158 50 70 EDIARN C[C@@H](Cn1cncn1)C(=O)N(C)Cc1nnc(-c2ccccc2)o1 ZINC000218225226 241308875 /nfs/dbraw/zinc/30/88/75/241308875.db2.gz PJMIVBITFVJUTD-LBPRGKRZSA-N 0 0 326.360 1.623 50 70 EDIARN O=c1c(=O)c(N2CCSCC2)c1NC[C@H]1COc2ccccc2O1 ZINC000218302459 241313248 /nfs/dbraw/zinc/31/32/48/241313248.db2.gz RJUFTRFIVYKJQP-NSHDSACASA-N 0 0 346.408 1.088 50 70 EDIARN COc1cncc([C@H](NC(=O)c2cc(C3CC3)n[nH]2)[C@H]2C[C@H](O)C2)c1 ZINC000218676141 241336188 /nfs/dbraw/zinc/33/61/88/241336188.db2.gz MBDCVAWDJPQJQG-BTJLNZGRSA-N 0 0 342.399 1.933 50 70 EDIARN O=C(C1=NNC(=O)CC1)N1CCN(c2nsc3ccccc32)CC1 ZINC000218675978 241336557 /nfs/dbraw/zinc/33/65/57/241336557.db2.gz PIGHQFNCBUKFCP-UHFFFAOYSA-N 0 0 343.412 1.211 50 70 EDIARN CC[C@H](O)c1cc2n(n1)CCCN(C(=O)c1cc(C3CC3)n[nH]1)C2 ZINC000217071201 241235804 /nfs/dbraw/zinc/23/58/04/241235804.db2.gz DLUVETCMJAZBQS-INIZCTEOSA-N 0 0 329.404 1.973 50 70 EDIARN CCc1nccn1CCC(=O)N1CCOc2ccc(CO)cc2C1 ZINC000217212114 241242080 /nfs/dbraw/zinc/24/20/80/241242080.db2.gz QCYNLOGUTIVPGX-UHFFFAOYSA-N 0 0 329.400 1.749 50 70 EDIARN O=C(c1cn(C[C@H](O)c2ccccc2F)nn1)N1CCSCC1 ZINC000217473492 241252717 /nfs/dbraw/zinc/25/27/17/241252717.db2.gz CATZWZIIJQMKOZ-AWEZNQCLSA-N 0 0 336.392 1.340 50 70 EDIARN Cc1noc(C)c1CO[C@@H]1COCC[C@H]1NC(=O)c1ccncc1O ZINC000218439314 241320743 /nfs/dbraw/zinc/32/07/43/241320743.db2.gz QZWPUYRTSXUSOF-GDBMZVCRSA-N 0 0 347.371 1.496 50 70 EDIARN Cc1cc(C)n(C[C@H]2CCCO2)c(=O)c1C(=O)NCCn1cccn1 ZINC000218464511 241324070 /nfs/dbraw/zinc/32/40/70/241324070.db2.gz DDJATNZCPGHJAY-OAHLLOKOSA-N 0 0 344.415 1.271 50 70 EDIARN Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)N1CCNC(=O)C1)O2 ZINC000217923838 241282764 /nfs/dbraw/zinc/28/27/64/241282764.db2.gz AECMHKSQFJWDNV-GOSISDBHSA-N 0 0 332.400 1.360 50 70 EDIARN CCCN1C(=O)N[C@H](CC(=O)NCc2ccc3c(c2)CCCO3)C1=O ZINC000218129302 241300674 /nfs/dbraw/zinc/30/06/74/241300674.db2.gz WRXPDZJCQCLXON-CQSZACIVSA-N 0 0 345.399 1.348 50 70 EDIARN O=C(N[C@@H]1COCC[C@@H]1OCC1CCC1)c1c[nH]c(=O)c(Cl)c1 ZINC000218120309 241300747 /nfs/dbraw/zinc/30/07/47/241300747.db2.gz UROHDLAZIPLGJI-KGLIPLIRSA-N 0 0 340.807 1.732 50 70 EDIARN O=C(Cn1cc(-c2ccccc2)ncc1=O)NCCc1ccccn1 ZINC000218146954 241302024 /nfs/dbraw/zinc/30/20/24/241302024.db2.gz NQKRJPCJALCPSU-UHFFFAOYSA-N 0 0 334.379 1.664 50 70 EDIARN O=C(Cn1cccn1)Nc1cnn(C[C@H]2COc3ccccc3O2)c1 ZINC000218276348 241310622 /nfs/dbraw/zinc/31/06/22/241310622.db2.gz DTDJYXDJZOYEEF-AWEZNQCLSA-N 0 0 339.355 1.558 50 70 EDIARN CCNc1nc(C)c(C(=O)NCc2nnc(-c3ccncc3)[nH]2)s1 ZINC000218764646 241343841 /nfs/dbraw/zinc/34/38/41/241343841.db2.gz KJVHOQZHVDZAMA-UHFFFAOYSA-N 0 0 343.416 1.993 50 70 EDIARN Cc1noc(-c2c3c(sc2NC(=O)c2cn(C)nn2)COCC3)n1 ZINC000217965154 293913589 /nfs/dbraw/zinc/91/35/89/293913589.db2.gz BPYUZYNIEKOJJZ-UHFFFAOYSA-N 0 0 346.372 1.560 50 70 EDIARN O=C(CNC(=O)c1ccccc1)Nc1cnn(CC2CCOCC2)c1 ZINC000218197351 443058430 /nfs/dbraw/zinc/05/84/30/443058430.db2.gz FMGCPXNWGPTRSM-UHFFFAOYSA-N 0 0 342.399 1.678 50 70 EDIARN COc1cc([C@H](CC(N)=O)c2c(C)[nH][nH]c2=O)cc(OC)c1OC ZINC000218304958 536884238 /nfs/dbraw/zinc/88/42/38/536884238.db2.gz WZFLCFBIYRFPPJ-JTQLQIEISA-N 0 0 335.360 1.045 50 70 EDIARN Cc1cc(C(=O)N2CCCN(Cc3cccnc3)CC2)cc(=O)[nH]1 ZINC000217813946 241276924 /nfs/dbraw/zinc/27/69/24/241276924.db2.gz ALCUYPPELIRDOO-UHFFFAOYSA-N 0 0 326.400 1.426 50 70 EDIARN Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)N1CCNC(=O)CC1)O2 ZINC000217728796 241272148 /nfs/dbraw/zinc/27/21/48/241272148.db2.gz LAWGJBGZDPKFIQ-LJQANCHMSA-N 0 0 346.427 1.750 50 70 EDIARN O=C(c1cc2sccc2[nH]1)N1CCCn2nc([C@H](O)CO)cc2C1 ZINC000217002076 241228850 /nfs/dbraw/zinc/22/88/50/241228850.db2.gz QSXVGOKRQXBQLF-CQSZACIVSA-N 0 0 346.412 1.498 50 70 EDIARN O=C(c1cc(C(F)(F)F)n[nH]1)N1CCCn2nc(CO)cc2C1 ZINC000217198115 241240516 /nfs/dbraw/zinc/24/05/16/241240516.db2.gz IEDPLONFBDBHMI-UHFFFAOYSA-N 0 0 329.282 1.163 50 70 EDIARN COc1ccc(C(=O)N[C@@H]2CCCN(c3cnccn3)C2)c(OC)n1 ZINC000217385049 241246682 /nfs/dbraw/zinc/24/66/82/241246682.db2.gz QYBUDHDWAJTMHL-GFCCVEGCSA-N 0 0 343.387 1.288 50 70 EDIARN O=C(c1cn(C[C@@H](O)c2ccccc2F)nn1)N1CCSCC1 ZINC000217473413 241253430 /nfs/dbraw/zinc/25/34/30/241253430.db2.gz CATZWZIIJQMKOZ-CQSZACIVSA-N 0 0 336.392 1.340 50 70 EDIARN COc1cccc([C@H]2CCN(C(=O)Cn3nc(C)cc3N)C2)c1OC ZINC000217507087 241254213 /nfs/dbraw/zinc/25/42/13/241254213.db2.gz HOVJMWFCFHJITO-ZDUSSCGKSA-N 0 0 344.415 1.807 50 70 EDIARN Nc1cc(=O)[nH]c(CCNC(=O)c2ccccc2N2CCCC2)n1 ZINC000218446957 241322039 /nfs/dbraw/zinc/32/20/39/241322039.db2.gz ODSOLIBCLJKZAW-UHFFFAOYSA-N 0 0 327.388 1.337 50 70 EDIARN O=S(=O)(c1cccnc1)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 ZINC000217819951 241277409 /nfs/dbraw/zinc/27/74/09/241277409.db2.gz WFJNJGMGNJQUKP-GFCCVEGCSA-N 0 0 348.428 1.985 50 70 EDIARN COC(=O)c1ccccc1Nc1c(=O)c(=O)c1NCc1ccccn1 ZINC000218262965 241309654 /nfs/dbraw/zinc/30/96/54/241309654.db2.gz NFAGOIVBLQKBNY-UHFFFAOYSA-N 0 0 337.335 1.820 50 70 EDIARN Cc1nnnn1-c1ccccc1C(=O)NCc1nc2ccccc2[nH]1 ZINC000218570798 241333220 /nfs/dbraw/zinc/33/32/20/241333220.db2.gz GISVCLRVNUGYRW-UHFFFAOYSA-N 0 0 333.355 1.777 50 70 EDIARN Cc1cc(C(=O)N[C@@H]2COCC[C@H]2OCc2ccccn2)nc(C)n1 ZINC000218709300 241340842 /nfs/dbraw/zinc/34/08/42/241340842.db2.gz AXYFEWYXHBEHRB-IAGOWNOFSA-N 0 0 342.399 1.593 50 70 EDIARN O=C(Nc1ccnn1C[C@@H]1CCOC1)N1CCC[C@@H]1Cn1ccnc1 ZINC000159451197 534428166 /nfs/dbraw/zinc/42/81/66/534428166.db2.gz RWFRDKLDIKJXKG-LSDHHAIUSA-N 0 0 344.419 1.813 50 70 EDIARN CN1CCN(C(=O)N2CCC[C@H](Cc3nc(C4CC4)no3)C2)CC1 ZINC000217818699 536404946 /nfs/dbraw/zinc/40/49/46/536404946.db2.gz KKMJSOGENKSQBC-CYBMUJFWSA-N 0 0 333.436 1.569 50 70 EDIARN Cn1cnnc1SCCNC(=O)COc1ncnc2ccccc21 ZINC000217636885 241266374 /nfs/dbraw/zinc/26/63/74/241266374.db2.gz BBPXZMTUBPNFRT-UHFFFAOYSA-N 0 0 344.400 1.046 50 70 EDIARN CCc1nc(C)ccc1OCC(=O)N1C[C@H]2CC[C@@H](C1)N(C)C2=O ZINC000217127305 241236291 /nfs/dbraw/zinc/23/62/91/241236291.db2.gz ZOJIALFFFSJSQY-KGLIPLIRSA-N 0 0 331.416 1.410 50 70 EDIARN COCCNC(=O)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1 ZINC000217850188 241279514 /nfs/dbraw/zinc/27/95/14/241279514.db2.gz IEHHEUVEYUYMJS-GFCCVEGCSA-N 0 0 346.391 1.137 50 70 EDIARN C[C@H](O)c1cc2n(n1)CCCN(Cc1cccc(OCC(N)=O)c1)C2 ZINC000218044990 241293100 /nfs/dbraw/zinc/29/31/00/241293100.db2.gz QGVTYRDPZXEZPD-ZDUSSCGKSA-N 0 0 344.415 1.206 50 70 EDIARN C[C@@H](O)c1cc2n(n1)CCCN(Cc1cccc(OCC(N)=O)c1)C2 ZINC000218044921 241294518 /nfs/dbraw/zinc/29/45/18/241294518.db2.gz QGVTYRDPZXEZPD-CYBMUJFWSA-N 0 0 344.415 1.206 50 70 EDIARN COCc1nnc(-c2ccc(NC3=CC(=O)N(C(C)=O)C3)cc2)[nH]1 ZINC000218572837 491019498 /nfs/dbraw/zinc/01/94/98/491019498.db2.gz BMYKPGDRAPOGSE-UHFFFAOYSA-N 0 0 327.344 1.303 50 70 EDIARN CCc1cnc(N2CCn3nc([C@@H](O)c4nccn4C)cc3C2)nc1 ZINC000218371634 536060959 /nfs/dbraw/zinc/06/09/59/536060959.db2.gz RYHXAMXXLKFDRJ-OAHLLOKOSA-N 0 0 339.403 1.071 50 70 EDIARN CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccn3nccc3c2)cc1 ZINC000217955364 536108170 /nfs/dbraw/zinc/10/81/70/536108170.db2.gz GOMJGTPGHYVQPH-UHFFFAOYSA-N 0 0 344.396 1.837 50 70 EDIARN COC(=O)CS[C@H]1CCN(C(=O)COc2ccccc2OC)C1 ZINC000217555301 241259531 /nfs/dbraw/zinc/25/95/31/241259531.db2.gz DVMCYCBUYBRLCC-LBPRGKRZSA-N 0 0 339.413 1.581 50 70 EDIARN O=C(/C=C/c1ccccc1)N1Cc2cnc(N3CCOCC3)nc2C1 ZINC000217607185 241262462 /nfs/dbraw/zinc/26/24/62/241262462.db2.gz NZTGFMIYZAMXSA-VOTSOKGWSA-N 0 0 336.395 1.869 50 70 EDIARN O=S(=O)(c1cccnc1)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 ZINC000217820037 241276720 /nfs/dbraw/zinc/27/67/20/241276720.db2.gz WFJNJGMGNJQUKP-LBPRGKRZSA-N 0 0 348.428 1.985 50 70 EDIARN CCOCC(=O)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1 ZINC000217839555 241277067 /nfs/dbraw/zinc/27/70/67/241277067.db2.gz VOFGWVMAJJUJQJ-GFCCVEGCSA-N 0 0 331.376 1.344 50 70 EDIARN O=C(N1CCn2nc([C@H](O)CO)cc2C1)C1(c2ccccc2F)CC1 ZINC000217196417 241241939 /nfs/dbraw/zinc/24/19/39/241241939.db2.gz AULCLIDELOMOFP-MRXNPFEDSA-N 0 0 345.374 1.122 50 70 EDIARN CN(CC(=O)N1CCCO[C@H](Cn2cccn2)C1)Cc1ccncc1 ZINC000217933141 241285648 /nfs/dbraw/zinc/28/56/48/241285648.db2.gz MTZRZJQFJCWEDO-KRWDZBQOSA-N 0 0 343.431 1.028 50 70 EDIARN Cc1ccc2[nH]c(CCNC(=O)C[C@@H]3C=CS(=O)(=O)C3)nc2c1 ZINC000217994792 241290243 /nfs/dbraw/zinc/29/02/43/241290243.db2.gz QCXMEBOYGPKHDC-LBPRGKRZSA-N 0 0 333.413 1.478 50 70 EDIARN CO[C@@H]1CCOC[C@H]1NC(=O)c1ccc(C)c(N2CCNC2=O)c1 ZINC000218134717 241300416 /nfs/dbraw/zinc/30/04/16/241300416.db2.gz BUUMRVOLLMUOIH-UKRRQHHQSA-N 0 0 333.388 1.058 50 70 EDIARN COc1ccc(-c2cc(C(=O)N[C@H](CO)C(C)C)[nH]n2)c(OC)c1 ZINC000218343837 241316056 /nfs/dbraw/zinc/31/60/56/241316056.db2.gz MOLLIKDQQTVISH-OAHLLOKOSA-N 0 0 333.388 1.841 50 70 EDIARN Cc1oc2c(c1C(=O)NCCSc1nncn1C)C(=O)CCC2 ZINC000218376023 241317028 /nfs/dbraw/zinc/31/70/28/241317028.db2.gz RIDWWBDMHSJNIX-UHFFFAOYSA-N 0 0 334.401 1.758 50 70 EDIARN Cn1cnnc1SCC(=O)N1CCC[C@H](C(=O)c2ccccn2)C1 ZINC000218726605 241342090 /nfs/dbraw/zinc/34/20/90/241342090.db2.gz LGAYLWZQAFLZCG-LBPRGKRZSA-N 0 0 345.428 1.424 50 70 EDIARN CCc1nnc(Cn2nc(C)c(S(=O)(=O)N(C)CC)c2C)o1 ZINC000160721497 441913188 /nfs/dbraw/zinc/91/31/88/441913188.db2.gz QKYZWEZGOXCDFZ-UHFFFAOYSA-N 0 0 327.410 1.134 50 70 EDIARN CC(C)(C)c1nsc(NC2CCN(CCS(C)(=O)=O)CC2)n1 ZINC000159412521 526907202 /nfs/dbraw/zinc/90/72/02/526907202.db2.gz CEJWJGUQQBQHIO-UHFFFAOYSA-N 0 0 346.522 1.757 50 70 EDIARN Nc1nc2c(c(C(=O)NC[C@@H]3COc4ccccc4O3)n1)CCCC2 ZINC000216951592 241226712 /nfs/dbraw/zinc/22/67/12/241226712.db2.gz XGAYXITVIMGMOH-LLVKDONJSA-N 0 0 340.383 1.507 50 70 EDIARN CN(Cc1cnn(C)c1)C(=O)COCc1nc2cc(F)ccc2[nH]1 ZINC000217028820 241232729 /nfs/dbraw/zinc/23/27/29/241232729.db2.gz LNVWMRZZXVDWEN-UHFFFAOYSA-N 0 0 331.351 1.611 50 70 EDIARN O=S(=O)(C1CC1)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1 ZINC000217852862 241279206 /nfs/dbraw/zinc/27/92/06/241279206.db2.gz XAMNZJLMIWNLLP-NSHDSACASA-N 0 0 349.416 1.273 50 70 EDIARN Cc1oc(C(C)C)cc1C(=O)N1CCn2nc([C@H](O)CO)cc2C1 ZINC000217926360 241283146 /nfs/dbraw/zinc/28/31/46/241283146.db2.gz HQPJNDBEHGOLKM-OAHLLOKOSA-N 0 0 333.388 1.590 50 70 EDIARN CCn1c(C)cc(C)c(C(=O)N[C@@H]2[C@H](COC)[C@H]3OCC[C@@H]23)c1=O ZINC000218129109 241299417 /nfs/dbraw/zinc/29/94/17/241299417.db2.gz AJHXZSFXYTVQMY-SDADXPQNSA-N 0 0 334.416 1.265 50 70 EDIARN Cn1nnnc1SCCNC(=O)COc1ccc(Cl)cc1 ZINC000218560773 241330532 /nfs/dbraw/zinc/33/05/32/241330532.db2.gz LKCYUDSSJFBWAO-UHFFFAOYSA-N 0 0 327.797 1.151 50 70 EDIARN C[C@@H](CO)NC(=O)[C@H](Cc1ccccc1)N1Cc2ccccc2C1=O ZINC000218373781 241317306 /nfs/dbraw/zinc/31/73/06/241317306.db2.gz KUVTYNPMGFKZAX-KSSFIOAISA-N 0 0 338.407 1.751 50 70 EDIARN O=C(Cn1nc2ccccc2n1)N[C@@H]1CCOC[C@H]1OCC1CCC1 ZINC000218357177 241318156 /nfs/dbraw/zinc/31/81/56/241318156.db2.gz NWBZBGNNJDZARR-IAGOWNOFSA-N 0 0 344.415 1.522 50 70 EDIARN Cn1cc(CCCNC(=O)N2CCN(Cc3ccccn3)CC2)cn1 ZINC000159975828 225313871 /nfs/dbraw/zinc/31/38/71/225313871.db2.gz NCTIJVWTZFGWGW-UHFFFAOYSA-N 0 0 342.447 1.275 50 70 EDIARN CC(=O)c1[nH]c(C)c(C(=O)N2CCN(Cc3nccn3C)CC2)c1C ZINC000217641582 241265097 /nfs/dbraw/zinc/26/50/97/241265097.db2.gz VEADLTVDVUALBT-UHFFFAOYSA-N 0 0 343.431 1.526 50 70 EDIARN Cc1cc(C)cc(CN2CCN(C(=O)c3cccc(=O)[nH]3)CC2=O)c1 ZINC000217175050 241237614 /nfs/dbraw/zinc/23/76/14/241237614.db2.gz UKZPYIIDQRORFV-UHFFFAOYSA-N 0 0 339.395 1.476 50 70 EDIARN CC[C@H](O)c1cc2n(n1)CCN(C(=O)Cn1cc(Cl)c(C)n1)C2 ZINC000217197830 241242528 /nfs/dbraw/zinc/24/25/28/241242528.db2.gz RMVPNGOFRFUYSE-AWEZNQCLSA-N 0 0 337.811 1.527 50 70 EDIARN Cc1nc(N)sc1C(=O)N1CCN(CCc2ccccc2)C(=O)C1 ZINC000218511598 241328913 /nfs/dbraw/zinc/32/89/13/241328913.db2.gz VCNSPZMQTRTMHV-UHFFFAOYSA-N 0 0 344.440 1.561 50 70 EDIARN Cc1nn2cc(CNC(=O)Cc3ccc4c(c3)OCO4)nc2s1 ZINC000218139580 241299825 /nfs/dbraw/zinc/29/98/25/241299825.db2.gz KJNUXDKQCDGXSK-UHFFFAOYSA-N 0 0 330.369 1.687 50 70 EDIARN CC(=O)N1CCC(C(=O)Nc2cnn(CC3CCOCC3)c2)CC1 ZINC000218202505 443058331 /nfs/dbraw/zinc/05/83/31/443058331.db2.gz RJCPGPJUIFACNO-UHFFFAOYSA-N 0 0 334.420 1.507 50 70 EDIARN Cc1cccc(S(=O)(=O)N2CC(Oc3cc(C)n(C)c(=O)c3)C2)c1 ZINC000217757225 241272759 /nfs/dbraw/zinc/27/27/59/241272759.db2.gz WAUIVGFEAVISMM-UHFFFAOYSA-N 0 0 348.424 1.454 50 70 EDIARN O=C1CCC(=O)N1C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccccc1 ZINC000217765778 241274514 /nfs/dbraw/zinc/27/45/14/241274514.db2.gz JMIZLFNYGOWHFZ-PBWFPOADSA-N 0 0 348.424 1.520 50 70 EDIARN Cn1c2ccccc2nc1[C@H]1CCCN(C(=O)CCn2cnnn2)C1 ZINC000216973925 241231654 /nfs/dbraw/zinc/23/16/54/241231654.db2.gz JHSGQOCDOCVJCA-ZDUSSCGKSA-N 0 0 339.403 1.356 50 70 EDIARN Cc1cc(=O)c(O)c([C@@H](CC(N)=O)c2ccc3nccnc3c2)o1 ZINC000217832076 241276234 /nfs/dbraw/zinc/27/62/34/241276234.db2.gz FETRFQHOQZJOLM-NSHDSACASA-N 0 0 325.324 1.604 50 70 EDIARN O=C(c1ccc(Cn2cccn2)o1)N1CCCn2nc(CO)cc2C1 ZINC000217837662 241276553 /nfs/dbraw/zinc/27/65/53/241276553.db2.gz GSQFDBMGDZQSFT-UHFFFAOYSA-N 0 0 341.371 1.259 50 70 EDIARN COC(=O)[C@H](CC(C)C)NC(=O)c1cn(C)c(=O)c2ccccc12 ZINC000217913999 241283216 /nfs/dbraw/zinc/28/32/16/241283216.db2.gz NPBRFNJGZRVTHX-HNNXBMFYSA-N 0 0 330.384 1.856 50 70 EDIARN COc1ccc(CC(=O)NCC[C@H](O)c2cccn2C)cc1OC ZINC000217936585 241286025 /nfs/dbraw/zinc/28/60/25/241286025.db2.gz VABMURDAUMOZDF-HNNXBMFYSA-N 0 0 332.400 1.825 50 70 EDIARN Cn1cccc1[C@@H](O)CCNC(=O)C(=O)NCc1ccc(F)cc1 ZINC000217947390 241286113 /nfs/dbraw/zinc/28/61/13/241286113.db2.gz WAIAJXYDYMTMJV-HNNXBMFYSA-N 0 0 333.363 1.020 50 70 EDIARN Cn1nccc1[C@H](O)c1cc2n(n1)CCCN(C(=O)C1CCC1)C2 ZINC000218046413 241294243 /nfs/dbraw/zinc/29/42/43/241294243.db2.gz YPSJHBZIEHUMSQ-MRXNPFEDSA-N 0 0 329.404 1.231 50 70 EDIARN Cc1csc(S(=O)(=O)N[C@H](c2cnn(C)c2)C2CC(O)C2)c1 ZINC000218154612 241301324 /nfs/dbraw/zinc/30/13/24/241301324.db2.gz RJBOZFKEILKWEE-OVGLSYRBSA-N 0 0 341.458 1.581 50 70 EDIARN CN(CCO)CC(=O)N[C@H](c1cnc2ccccc2c1)C1CC(O)C1 ZINC000218277078 241310911 /nfs/dbraw/zinc/31/09/11/241310911.db2.gz ZAXKVOAUXPTPPH-KJXMEXGPSA-N 0 0 343.427 1.087 50 70 EDIARN CS(=O)(=O)NCC[C@@H]1CCCCN1Cc1cc(C(N)=O)cs1 ZINC000159452889 533401671 /nfs/dbraw/zinc/40/16/71/533401671.db2.gz LZAIHCADMLZEMA-LBPRGKRZSA-N 0 0 345.490 1.141 50 70 EDIARN Cc1[nH][nH]c(=O)c1[C@H](CC(N)=O)c1cc2ccccc2nc1N(C)C ZINC000218181687 443057720 /nfs/dbraw/zinc/05/77/20/443057720.db2.gz YALIVWJIOMWJQU-GFCCVEGCSA-N 0 0 339.399 1.633 50 70 EDIARN Cc1nnsc1C(=O)N1CC(n2cc(-c3ccccc3)nn2)C1 ZINC000217670387 241268392 /nfs/dbraw/zinc/26/83/92/241268392.db2.gz VSCUOHPQWVNKQX-UHFFFAOYSA-N 0 0 326.385 1.802 50 70 EDIARN Cc1cnc2c(C(=O)N3CCCn4nc([C@H](C)O)cc4C3)cnn2c1 ZINC000216988637 241229659 /nfs/dbraw/zinc/22/96/59/241229659.db2.gz WSTPVAHFYDMCPU-LBPRGKRZSA-N 0 0 340.387 1.334 50 70 EDIARN C[C@H](O)c1cc2n(n1)CCN(C(=O)c1csc(CN(C)C)n1)C2 ZINC000217137277 241235001 /nfs/dbraw/zinc/23/50/01/241235001.db2.gz KGQIIEDBASVCKL-JTQLQIEISA-N 0 0 335.433 1.111 50 70 EDIARN O=C(CC1=CSC2=NCCCN12)NCc1cnn2cccnc12 ZINC000217345534 241244013 /nfs/dbraw/zinc/24/40/13/241244013.db2.gz OTSDPZKTYLTVNO-UHFFFAOYSA-N 0 0 328.401 1.386 50 70 EDIARN COc1cc(COCC2CCN(S(C)(=O)=O)CC2)cc(OC)c1 ZINC000217462544 241250474 /nfs/dbraw/zinc/25/04/74/241250474.db2.gz PSVWSFMBLWITNO-UHFFFAOYSA-N 0 0 343.445 1.892 50 70 EDIARN C[C@H](NC(=O)C(=O)NCC[C@H](O)c1cccn1C)c1ccccc1 ZINC000217946552 241285867 /nfs/dbraw/zinc/28/58/67/241285867.db2.gz TUZJGYAEGFVNBU-BBRMVZONSA-N 0 0 329.400 1.442 50 70 EDIARN C[C@@H](NC(=O)c1ccc(CSc2nc[nH]n2)o1)c1cnn(C)c1 ZINC000218087816 241295648 /nfs/dbraw/zinc/29/56/48/241295648.db2.gz BYQGTYFKIVUJDN-SECBINFHSA-N 0 0 332.389 1.915 50 70 EDIARN CNC(=O)c1cccc(CNC(=O)COCC(F)(F)C(F)F)c1 ZINC000218092967 241297743 /nfs/dbraw/zinc/29/77/43/241297743.db2.gz OAWRPBZKFDXKNQ-UHFFFAOYSA-N 0 0 336.285 1.579 50 70 EDIARN Cc1cccc(N2CCN(CC(=O)N[C@H]3C[C@@H]4OCC[C@H]34)CC2)c1 ZINC000218105040 241298428 /nfs/dbraw/zinc/29/84/28/241298428.db2.gz GFQGTKXVBWULCC-SQNIBIBYSA-N 0 0 329.444 1.411 50 70 EDIARN COCCn1cncc1CNC(=O)c1ccccc1N1CCOCC1 ZINC000218314455 241312876 /nfs/dbraw/zinc/31/28/76/241312876.db2.gz JTEOTXUKKVMDLZ-UHFFFAOYSA-N 0 0 344.415 1.296 50 70 EDIARN CCSc1nc(CC(=O)N2C[C@H]3CC[C@@H](C2)N(C)C3=O)cs1 ZINC000218587477 241333065 /nfs/dbraw/zinc/33/30/65/241333065.db2.gz GWLNYQNVQWSENB-PWSUYJOCSA-N 0 0 339.486 1.877 50 70 EDIARN CCOc1ccc(C(=O)NCCn2[nH]c(=O)c3ccccc3c2=O)o1 ZINC000218588700 241333100 /nfs/dbraw/zinc/33/31/00/241333100.db2.gz ITMLKWZOGGTJAY-UHFFFAOYSA-N 0 0 343.339 1.112 50 70 EDIARN Cc1ccc(C)n1CC(=O)N1CCN(CCc2ccccn2)CC1 ZINC000218606876 241335575 /nfs/dbraw/zinc/33/55/75/241335575.db2.gz FOOYPCDQRLAKEK-UHFFFAOYSA-N 0 0 326.444 1.887 50 70 EDIARN O=C(Cn1nc2ccccc2n1)NCc1ccc(N2CCCC2=O)cc1 ZINC000218660979 241336623 /nfs/dbraw/zinc/33/66/23/241336623.db2.gz HDBCUJLOGKCXQU-UHFFFAOYSA-N 0 0 349.394 1.875 50 70 EDIARN COc1ccc([C@H](NC(=O)c2ccc[nH]c2=O)C2CC(O)C2)cn1 ZINC000218774335 536928647 /nfs/dbraw/zinc/92/86/47/536928647.db2.gz LLEBNODADBPFOV-QOZQQMKHSA-N 0 0 329.356 1.433 50 70 EDIARN CC(C)Cc1cc(C(=O)N2CCC(Cn3ccnc3)CC2)[nH]c(=O)n1 ZINC000217103561 241235502 /nfs/dbraw/zinc/23/55/02/241235502.db2.gz VYYGSCQHACUNNA-UHFFFAOYSA-N 0 0 343.431 1.717 50 70 EDIARN CC[C@@H](O)c1cc2n(n1)CCN(Cc1cnc(N3CCCC3)nc1)C2 ZINC000217408717 241247946 /nfs/dbraw/zinc/24/79/46/241247946.db2.gz NMZFBVZZQDWUDJ-QGZVFWFLSA-N 0 0 342.447 1.733 50 70 EDIARN Cc1noc(-c2cn(CCNC(=O)[C@@H](C)Oc3ccccc3)nn2)n1 ZINC000217467297 241252046 /nfs/dbraw/zinc/25/20/46/241252046.db2.gz SDOVYPNPRSJVMG-LLVKDONJSA-N 0 0 342.359 1.220 50 70 EDIARN COCC(=O)Nc1ccc(NC2=CC(=O)N(C(C)=O)C2)cc1Cl ZINC000218447168 241324459 /nfs/dbraw/zinc/32/44/59/241324459.db2.gz OSHULZIFXDLKMV-UHFFFAOYSA-N 0 0 337.763 1.609 50 70 EDIARN COCCn1c(C)cc(C)c(C(=O)NCCc2ccccn2)c1=O ZINC000218520285 241328703 /nfs/dbraw/zinc/32/87/03/241328703.db2.gz QELRCMWUQUOGMY-UHFFFAOYSA-N 0 0 329.400 1.479 50 70 EDIARN C[C@@H](NC(=O)C(=O)NCC[C@@H](O)c1cccn1C)c1ccccc1 ZINC000217946812 241286652 /nfs/dbraw/zinc/28/66/52/241286652.db2.gz TUZJGYAEGFVNBU-CZUORRHYSA-N 0 0 329.400 1.442 50 70 EDIARN O=C(CCc1ccc(F)c(F)c1)N[C@@H]1COCC[C@@H]1OCCO ZINC000218161729 241301674 /nfs/dbraw/zinc/30/16/74/241301674.db2.gz VGESNZHJEGRAIN-CABCVRRESA-N 0 0 329.343 1.180 50 70 EDIARN Cc1noc([C@H]2CCCCN2C(=O)Cn2c(C)cc(C)nc2=O)n1 ZINC000218176270 241304641 /nfs/dbraw/zinc/30/46/41/241304641.db2.gz UNHNEJJHLCIVBI-CYBMUJFWSA-N 0 0 331.376 1.305 50 70 EDIARN Cc1cnc(C(=O)N[C@@H]2COCC[C@@H]2OCc2ccccc2)cn1 ZINC000218219296 241305265 /nfs/dbraw/zinc/30/52/65/241305265.db2.gz CKXLHOUGWNXQIT-SJORKVTESA-N 0 0 327.384 1.889 50 70 EDIARN O=C(NCCN1CCOCC1)c1cnc2c(Cl)cccc2c1O ZINC000218203137 241305551 /nfs/dbraw/zinc/30/55/51/241305551.db2.gz NFKDYKIHWUUJBI-UHFFFAOYSA-N 0 0 335.791 1.656 50 70 EDIARN C[C@H](Cn1cncn1)C(=O)N1CCN(c2nc3ccccc3o2)CC1 ZINC000218210468 241306063 /nfs/dbraw/zinc/30/60/63/241306063.db2.gz SJPSUJWCQKWLCL-CYBMUJFWSA-N 0 0 340.387 1.404 50 70 EDIARN Cc1nc(N)ncc1C(=O)NC[C@@H]1CCCN(c2ccccn2)C1 ZINC000218233268 241307371 /nfs/dbraw/zinc/30/73/71/241307371.db2.gz KDKQHEAWFOUDST-ZDUSSCGKSA-N 0 0 326.404 1.409 50 70 EDIARN O=C(CNc1c(=O)c(=O)c1NCCC1=CCCCC1)N1CCCC1 ZINC000218268459 241310591 /nfs/dbraw/zinc/31/05/91/241310591.db2.gz HWTXCLLWRQGSHZ-UHFFFAOYSA-N 0 0 331.416 1.619 50 70 EDIARN CN1CCN(C(=O)[C@@H](c2ccc(F)cc2)N2CCCCC2)CC1=O ZINC000218266716 241310803 /nfs/dbraw/zinc/31/08/03/241310803.db2.gz IKVTVYZPLVXFJM-QGZVFWFLSA-N 0 0 333.407 1.653 50 70 EDIARN O=C(Cn1ccc(=O)c2ccccc21)NCCSc1c[nH]nn1 ZINC000218615582 241334018 /nfs/dbraw/zinc/33/40/18/241334018.db2.gz PCFYKYYTFHLRSU-UHFFFAOYSA-N 0 0 329.385 1.028 50 70 EDIARN O=C(NCCOCc1ccc(Cl)cc1)N1CCNC(=O)CC1 ZINC000160517866 258070449 /nfs/dbraw/zinc/07/04/49/258070449.db2.gz AYEUDZIHIRRMSN-UHFFFAOYSA-N 0 0 325.796 1.388 50 70 EDIARN COC[C@](C)(O)CNS(=O)(=O)c1ccccc1OC(F)(F)F ZINC000217572495 536651325 /nfs/dbraw/zinc/65/13/25/536651325.db2.gz OEQPFKOCSJVQJN-LLVKDONJSA-N 0 0 343.323 1.261 50 70 EDIARN COc1ccc([C@@H](CC(N)=O)c2oc(C)cc(=O)c2O)c(OC)c1 ZINC000217708766 241271103 /nfs/dbraw/zinc/27/11/03/241271103.db2.gz HAUOVTGKCPFHHT-GFCCVEGCSA-N 0 0 333.340 1.678 50 70 EDIARN Cc1cc(C)n(CCCNC(=O)[C@H](O)COc2ccccc2C)n1 ZINC000216918853 241223946 /nfs/dbraw/zinc/22/39/46/241223946.db2.gz NTFIKHSQYCCJRX-MRXNPFEDSA-N 0 0 331.416 1.755 50 70 EDIARN Cn1c(=O)[nH]cc(CC(=O)NCc2cc3cc(Cl)ccc3[nH]2)c1=O ZINC000217189451 241242763 /nfs/dbraw/zinc/24/27/63/241242763.db2.gz UBMRUVIJKVAXRI-UHFFFAOYSA-N 0 0 346.774 1.067 50 70 EDIARN O=C(c1cnc2c(c1)CCCC2)N1CCCn2nc(CO)cc2C1 ZINC000217515975 241254689 /nfs/dbraw/zinc/25/46/89/241254689.db2.gz KJUGQYGMOPZNJT-UHFFFAOYSA-N 0 0 326.400 1.695 50 70 EDIARN Cc1cccc([C@@H](C(=O)NCCCn2ccccc2=O)N(C)C)c1 ZINC000217517919 241254712 /nfs/dbraw/zinc/25/47/12/241254712.db2.gz IXCHNASGSXKCSR-SFHVURJKSA-N 0 0 327.428 1.966 50 70 EDIARN O=C(N[C@H](CO)Cc1ccccc1)c1ccc(Cn2cnnn2)cc1 ZINC000218199610 241305961 /nfs/dbraw/zinc/30/59/61/241305961.db2.gz DSSNOJLZEQPILL-KRWDZBQOSA-N 0 0 337.383 1.055 50 70 EDIARN Cc1csc(NC(=O)CC[C@@H]2NC(=O)N(Cc3ccco3)C2=O)n1 ZINC000218234313 241307476 /nfs/dbraw/zinc/30/74/76/241307476.db2.gz OGCBBAKDDSWGAZ-NSHDSACASA-N 0 0 348.384 1.884 50 70 EDIARN O=C(Nc1cnn(C[C@H]2COc3ccccc3O2)c1)c1nc[nH]n1 ZINC000218285087 241310434 /nfs/dbraw/zinc/31/04/34/241310434.db2.gz ZOZJGSPEJIJEDM-NSHDSACASA-N 0 0 326.316 1.094 50 70 EDIARN CCO[C@@H]1COCC[C@H]1NC(=O)c1ccc(N2CCOCC2)cc1 ZINC000218683158 241338576 /nfs/dbraw/zinc/33/85/76/241338576.db2.gz ALZOZRSAHUDOGA-IAGOWNOFSA-N 0 0 334.416 1.447 50 70 EDIARN O=C(NCc1nnc2ccccn21)N1CCCN(CC(F)F)CC1 ZINC000159895084 206268259 /nfs/dbraw/zinc/26/82/59/206268259.db2.gz XVPMHKGZXRCCBJ-UHFFFAOYSA-N 0 0 338.362 1.212 50 70 EDIARN Cn1c2ccc(S(=O)(=O)NCC3(C4CC4)CC3)cc2n(C)c1=O ZINC000160216702 206285619 /nfs/dbraw/zinc/28/56/19/206285619.db2.gz CRXPWIWNIMIUKB-UHFFFAOYSA-N 0 0 335.429 1.346 50 70 EDIARN Cc1nc(CC(=O)NC(C)(C)c2noc(CN(C)C)n2)c(C)s1 ZINC000160283500 225380248 /nfs/dbraw/zinc/38/02/48/225380248.db2.gz OBMXZAKKCWLRKN-UHFFFAOYSA-N 0 0 337.449 1.799 50 70 EDIARN O=C(NCCc1cccc(O)c1)N1CCN(Cc2ccccn2)CC1 ZINC000159972649 325712578 /nfs/dbraw/zinc/71/25/78/325712578.db2.gz KFCCRDSGOCLHFS-UHFFFAOYSA-N 0 0 340.427 1.857 50 70 EDIARN CC[C@@H](C)[C@@H](CO)NC(=O)CCc1nnc2ccc(OC(C)C)nn21 ZINC000218331736 535651410 /nfs/dbraw/zinc/65/14/10/535651410.db2.gz LPZNHKMSPANFIH-CHWSQXEVSA-N 0 0 349.435 1.367 50 70 EDIARN CN(C)c1ccccc1C(=O)N1CCC(c2nnc(CO)n2C)CC1 ZINC000217210138 536152019 /nfs/dbraw/zinc/15/20/19/536152019.db2.gz ROSZITNBBMKCHW-UHFFFAOYSA-N 0 0 343.431 1.393 50 70 EDIARN COC(=O)CS[C@H]1CCN(S(=O)(=O)c2ccccc2F)C1 ZINC000217566273 241258914 /nfs/dbraw/zinc/25/89/14/241258914.db2.gz DNYXUMBSVGYGLM-JTQLQIEISA-N 0 0 333.406 1.495 50 70 EDIARN COC(=O)c1ccc(S(=O)(=O)N2CCc3ncncc3C2)cc1 ZINC000217627251 241262483 /nfs/dbraw/zinc/26/24/83/241262483.db2.gz OEQUSQNQMLXGCT-UHFFFAOYSA-N 0 0 333.369 1.010 50 70 EDIARN Cc1cccc(=O)n1CCCNC(=O)c1scc2c1OCCO2 ZINC000216975978 241229856 /nfs/dbraw/zinc/22/98/56/241229856.db2.gz SIYOEHXXRGZKDR-UHFFFAOYSA-N 0 0 334.397 1.810 50 70 EDIARN O=C(/C=C/c1ccccc1)N1CCCn2nc([C@@H](O)CO)cc2C1 ZINC000217164454 241237846 /nfs/dbraw/zinc/23/78/46/241237846.db2.gz PXYFOCJGYNOZSY-OZSKJFCKSA-N 0 0 327.384 1.355 50 70 EDIARN COc1ccc(C(=O)N2CCn3nc([C@@H](C)O)cc3C2)c(OC)n1 ZINC000217166618 241238709 /nfs/dbraw/zinc/23/87/09/241238709.db2.gz CAMBVBVZOYZCLL-SNVBAGLBSA-N 0 0 332.360 1.005 50 70 EDIARN Cc1[nH]c2ccnn2c(=O)c1CCC(=O)N[C@H](CO)c1ccccc1 ZINC000218530629 241329020 /nfs/dbraw/zinc/32/90/20/241329020.db2.gz IMJYZSSNNRIOMV-OAHLLOKOSA-N 0 0 340.383 1.113 50 70 EDIARN COc1ccc(S(=O)(=O)NCC[C@@H](O)c2cccn2C)c(C)c1 ZINC000217942789 241285974 /nfs/dbraw/zinc/28/59/74/241285974.db2.gz QVZOIYKASGOCMD-OAHLLOKOSA-N 0 0 338.429 1.744 50 70 EDIARN CCn1c(CCNC(=O)C[C@H]2C=CS(=O)(=O)C2)nc2ccccc21 ZINC000218149984 241301625 /nfs/dbraw/zinc/30/16/25/241301625.db2.gz FWAOUVAUHBFBCX-CYBMUJFWSA-N 0 0 347.440 1.663 50 70 EDIARN O=C(CN1CCOCC1)N1CCC(Cc2noc(C3CC3)n2)CC1 ZINC000218731031 241342057 /nfs/dbraw/zinc/34/20/57/241342057.db2.gz YVEVGFUXRBGTEO-UHFFFAOYSA-N 0 0 334.420 1.060 50 70 EDIARN CC(C)=CCO[C@@H]1COCC[C@H]1NC(=O)c1cn2cccnc2n1 ZINC000218440532 275557575 /nfs/dbraw/zinc/55/75/75/275557575.db2.gz QFFAWVHXWSYGAF-UKRRQHHQSA-N 0 0 330.388 1.599 50 70 EDIARN O=C(c1cc2ccccc2[nH]1)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 ZINC000217729681 241272570 /nfs/dbraw/zinc/27/25/70/241272570.db2.gz DJFYEWPYMFRPQG-GJZGRUSLSA-N 0 0 349.390 1.944 50 70 EDIARN Cc1cc(OC2CN(C(=O)COc3ccccc3F)C2)cc(=O)n1C ZINC000217755480 241272685 /nfs/dbraw/zinc/27/26/85/241272685.db2.gz WXAAOVONRNZEIP-UHFFFAOYSA-N 0 0 346.358 1.501 50 70 EDIARN O=C(Nc1ccc(F)cc1)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 ZINC000217735922 241273161 /nfs/dbraw/zinc/27/31/61/241273161.db2.gz GTSQSIJTBOCJTF-GJZGRUSLSA-N 0 0 343.358 1.993 50 70 EDIARN Cc1cnc(C(=O)N2CCCn3nc([C@H](O)C4CCC4)cc3C2)cn1 ZINC000218509688 241328532 /nfs/dbraw/zinc/32/85/32/241328532.db2.gz GJHCCYUPULVCOC-QGZVFWFLSA-N 0 0 341.415 1.861 50 70 EDIARN O=C([C@@H]1CCOC1)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1 ZINC000217847537 241279905 /nfs/dbraw/zinc/27/99/05/241279905.db2.gz UKYKEGKKHDORGE-CHWSQXEVSA-N 0 0 343.387 1.344 50 70 EDIARN O=C(c1cccc(Cn2cccn2)c1)N1CCn2nc(CO)cc2C1 ZINC000217921752 241282933 /nfs/dbraw/zinc/28/29/33/241282933.db2.gz RQCHFZHOGHWVNA-UHFFFAOYSA-N 0 0 337.383 1.276 50 70 EDIARN Cc1noc(C)c1C(=O)N[C@@H]1CCOC[C@@H]1Oc1ccc(C)nc1 ZINC000217991267 241290209 /nfs/dbraw/zinc/29/02/09/241290209.db2.gz HVAGWASEGADQHT-CABCVRRESA-N 0 0 331.372 1.961 50 70 EDIARN Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1ccc(OC(F)(F)F)cc1 ZINC000218258500 241310144 /nfs/dbraw/zinc/31/01/44/241310144.db2.gz ULVFDULICGHVBY-JTQLQIEISA-N 0 0 329.278 1.917 50 70 EDIARN O=c1c(=O)c(N2CCSCC2)c1NC[C@@H]1COc2ccccc2O1 ZINC000218302397 241313286 /nfs/dbraw/zinc/31/32/86/241313286.db2.gz RJUFTRFIVYKJQP-LLVKDONJSA-N 0 0 346.408 1.088 50 70 EDIARN O=C(Cn1cc(-c2ccccc2)ncc1=O)NCC1CCOCC1 ZINC000218327383 241314618 /nfs/dbraw/zinc/31/46/18/241314618.db2.gz LHZDVPPBPWTZLB-UHFFFAOYSA-N 0 0 327.384 1.453 50 70 EDIARN CC(C)(Oc1ccc2c(c1)CCC2)C(=O)NCCc1noc(CO)n1 ZINC000218174788 535332082 /nfs/dbraw/zinc/33/20/82/535332082.db2.gz BCNCJAKYGMXUCN-UHFFFAOYSA-N 0 0 345.399 1.567 50 70 EDIARN COc1ccc2[nH]c(C(=O)N3CCn4nc(CO)cc4C3)c(C)c2c1 ZINC000217585519 536958700 /nfs/dbraw/zinc/95/87/00/536958700.db2.gz ZBCHGUXXQTWNQS-UHFFFAOYSA-N 0 0 340.383 1.830 50 70 EDIARN COc1ccccc1-n1cc(CNC(=O)c2cc(C)[nH]c(=O)c2)cn1 ZINC000217100750 536977936 /nfs/dbraw/zinc/97/79/36/536977936.db2.gz CGAADDJYVHROEW-UHFFFAOYSA-N 0 0 338.367 1.808 50 70 EDIARN CSc1ncccc1C(=O)N1CC(Oc2cc(C)n(C)c(=O)c2)C1 ZINC000217755371 241272826 /nfs/dbraw/zinc/27/28/26/241272826.db2.gz CMKKNLIGSHMUMC-UHFFFAOYSA-N 0 0 345.424 1.714 50 70 EDIARN O=C(C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)NCc1ccncc1 ZINC000217801714 241275176 /nfs/dbraw/zinc/27/51/76/241275176.db2.gz NHGVWPXXONOAIQ-HNNXBMFYSA-N 0 0 338.367 1.209 50 70 EDIARN Cc1c2cc(F)ccc2n(C)c1C(=O)N1CCn2nc(CO)cc2C1 ZINC000216933023 241225427 /nfs/dbraw/zinc/22/54/27/241225427.db2.gz ZVMAHAPUZKYUNV-UHFFFAOYSA-N 0 0 342.374 1.971 50 70 EDIARN Cc1cccc2[nH]c(CCNC(=O)CSc3nnc(N)s3)nc21 ZINC000217144052 241239023 /nfs/dbraw/zinc/23/90/23/241239023.db2.gz VVBCSHIGPRLJFL-UHFFFAOYSA-N 0 0 348.457 1.756 50 70 EDIARN O=C(Cc1cnccn1)N1CCN(c2nc3ccccc3s2)CC1 ZINC000217205496 241242113 /nfs/dbraw/zinc/24/21/13/241242113.db2.gz IUJMKILJXKPLCV-UHFFFAOYSA-N 0 0 339.424 1.978 50 70 EDIARN CCOc1cc(C)c(Cl)cc1S(=O)(=O)N[C@@H]1CCOC[C@H]1O ZINC000218458708 241325364 /nfs/dbraw/zinc/32/53/64/241325364.db2.gz VOIADAARCWYVFK-VXGBXAGGSA-N 0 0 349.836 1.475 50 70 EDIARN Cn1cccc1[C@@H](O)CCNC(=O)c1cc2ccccc2oc1=O ZINC000217936037 241286608 /nfs/dbraw/zinc/28/66/08/241286608.db2.gz BTHAHNRYHIGMIB-HNNXBMFYSA-N 0 0 326.352 1.985 50 70 EDIARN Cc1nn(C)c(C)c1CN1CCN(C(=O)CCc2cscn2)CC1 ZINC000217211529 139020725 /nfs/dbraw/zinc/02/07/25/139020725.db2.gz PHRWDTSEOWCOSD-UHFFFAOYSA-N 0 0 347.488 1.770 50 70 EDIARN Cc1cc(OC2CN(C(=O)c3ccc4nccnc4c3)C2)cc(=O)o1 ZINC000217751550 241273573 /nfs/dbraw/zinc/27/35/73/241273573.db2.gz VOVULNTUUGBEAI-UHFFFAOYSA-N 0 0 337.335 1.795 50 70 EDIARN CO[C@@H]1CCOC[C@H]1NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000217051090 241232963 /nfs/dbraw/zinc/23/29/63/241232963.db2.gz HOISDAXQJSQCMS-VXGBXAGGSA-N 0 0 339.335 1.788 50 70 EDIARN Cc1noc(-c2cn(CCNC(=O)c3ccc4ccccc4n3)nn2)n1 ZINC000217467819 241253595 /nfs/dbraw/zinc/25/35/95/241253595.db2.gz XCXZTCLEFRPUPZ-UHFFFAOYSA-N 0 0 349.354 1.615 50 70 EDIARN CC(C)(C)c1oc(C(N)=O)cc1CN1CCCn2nc(CO)cc2C1 ZINC000217513601 241255535 /nfs/dbraw/zinc/25/55/35/241255535.db2.gz WPNNJQIHUQQXRJ-UHFFFAOYSA-N 0 0 346.431 1.771 50 70 EDIARN CCn1c(CCNC(=O)C[C@@H]2C=CS(=O)(=O)C2)nc2ccccc21 ZINC000218149925 241301212 /nfs/dbraw/zinc/30/12/12/241301212.db2.gz FWAOUVAUHBFBCX-ZDUSSCGKSA-N 0 0 347.440 1.663 50 70 EDIARN COC(=O)[C@@H](NC(=O)Cn1nc(-c2cccs2)ccc1=O)C(C)C ZINC000218247566 241307544 /nfs/dbraw/zinc/30/75/44/241307544.db2.gz MSRQANXDWNSPFN-HNNXBMFYSA-N 0 0 349.412 1.286 50 70 EDIARN CCCOCC(=O)N1CCn2nc([C@H](O)Cc3ccccc3)cc2C1 ZINC000218603490 241335631 /nfs/dbraw/zinc/33/56/31/241335631.db2.gz OLWPHHURSQVHSQ-GOSISDBHSA-N 0 0 343.427 1.928 50 70 EDIARN Cc1cc(C[C@H](C)NC(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)[nH]n1 ZINC000161484761 206351122 /nfs/dbraw/zinc/35/11/22/206351122.db2.gz SZAKRZHRTBTGNV-JTQLQIEISA-N 0 0 343.387 1.826 50 70 EDIARN COC(=O)[C@@H]1C[C@H](OC)CN1C(=O)C1(c2ccccc2)CCOCC1 ZINC000217603266 443057438 /nfs/dbraw/zinc/05/74/38/443057438.db2.gz AEUBUWQOXQRXAM-HOTGVXAUSA-N 0 0 347.411 1.524 50 70 EDIARN O=S(=O)(N1CC(n2cc(-c3ccccc3)nn2)C1)N1CCCC1 ZINC000217675032 534974421 /nfs/dbraw/zinc/97/44/21/534974421.db2.gz UJWMRALQFNWDKT-UHFFFAOYSA-N 0 0 333.417 1.142 50 70 EDIARN CCc1cnc(N2CCn3nc([C@H](O)c4nccn4C)cc3C2)nc1 ZINC000218371712 536060777 /nfs/dbraw/zinc/06/07/77/536060777.db2.gz RYHXAMXXLKFDRJ-HNNXBMFYSA-N 0 0 339.403 1.071 50 70 EDIARN Cc1n[nH]c(C)c1[C@H](C)NC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000217619761 241263532 /nfs/dbraw/zinc/26/35/32/241263532.db2.gz CCWWUVJNRDCTSL-ZETCQYMHSA-N 0 0 327.344 1.047 50 70 EDIARN COc1cccc2cc(C(=O)N3CC[C@@H](n4ccnn4)C3)c(=O)oc21 ZINC000217688156 241268262 /nfs/dbraw/zinc/26/82/62/241268262.db2.gz MKFJJSZTMFTUSW-GFCCVEGCSA-N 0 0 340.339 1.480 50 70 EDIARN O=C(c1ccc(F)c(F)c1)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 ZINC000217720885 241269505 /nfs/dbraw/zinc/26/95/05/241269505.db2.gz DILLUJRMTYJDSK-STQMWFEESA-N 0 0 346.333 1.740 50 70 EDIARN Cc1cc(C(F)(F)F)nn1CCNC(=O)c1cnc(N)nc1C ZINC000218502670 241327104 /nfs/dbraw/zinc/32/71/04/241327104.db2.gz CNQSGIHVYGFMAC-UHFFFAOYSA-N 0 0 328.298 1.321 50 70 EDIARN O=C(NCc1cnc2cnccn12)c1ccccc1N1CCOCC1 ZINC000217896887 241281588 /nfs/dbraw/zinc/28/15/88/241281588.db2.gz UEYVLHUHYWBUHA-UHFFFAOYSA-N 0 0 337.383 1.496 50 70 EDIARN CCOc1ccc(NC(=O)C(=O)NCC[C@@H](O)c2cccn2C)cc1 ZINC000217948323 241286383 /nfs/dbraw/zinc/28/63/83/241286383.db2.gz BFWDKJDHZYTDNN-MRXNPFEDSA-N 0 0 345.399 1.602 50 70 EDIARN C[C@@H](NC(=O)C(=O)NCC[C@H](O)c1cccn1C)c1ccccc1 ZINC000217946625 241286716 /nfs/dbraw/zinc/28/67/16/241286716.db2.gz TUZJGYAEGFVNBU-CJNGLKHVSA-N 0 0 329.400 1.442 50 70 EDIARN Cc1cc(CC(=O)N[C@@H]2COCC[C@@H]2OCc2c(C)noc2C)on1 ZINC000218048855 241293378 /nfs/dbraw/zinc/29/33/78/241293378.db2.gz QPRZDDBRDKHRBD-CVEARBPZSA-N 0 0 349.387 1.621 50 70 EDIARN Cc1nc(CCNC(=O)[C@@H](C)Cn2cccn2)nc2c1CCCC2 ZINC000218055083 241294535 /nfs/dbraw/zinc/29/45/35/241294535.db2.gz SQCFCYUYPSJMKI-ZDUSSCGKSA-N 0 0 327.432 1.855 50 70 EDIARN Cc1cc(C)nc(N[C@H](Cc2ccccc2)C(=O)N2CCOCC2)n1 ZINC000218269401 241311086 /nfs/dbraw/zinc/31/10/86/241311086.db2.gz KBFZJZGLEJGEPH-QGZVFWFLSA-N 0 0 340.427 1.975 50 70 EDIARN O=C(N[C@@H](Cc1ccncc1)[C@H]1C[C@H](O)C1)C1(Cn2ccnc2)CC1 ZINC000218353897 241315689 /nfs/dbraw/zinc/31/56/89/241315689.db2.gz HZAAPKJQUNUXIM-BBWFWOEESA-N 0 0 340.427 1.557 50 70 EDIARN C[C@@H](CO)N(C)C(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000160367248 206293506 /nfs/dbraw/zinc/29/35/06/206293506.db2.gz RPHQDFUWQFHONJ-LBPRGKRZSA-N 0 0 325.430 1.856 50 70 EDIARN CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)c1ccc2ncccc2c1 ZINC000160497577 206300982 /nfs/dbraw/zinc/30/09/82/206300982.db2.gz VNGAIZPSYQNFDG-GOEBONIOSA-N 0 0 347.440 1.683 50 70 EDIARN CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)c1nccc2ccccc21 ZINC000160682166 206309222 /nfs/dbraw/zinc/30/92/22/206309222.db2.gz QOKCSOKQUHZFFQ-DZGCQCFKSA-N 0 0 347.440 1.683 50 70 EDIARN O=C(Nc1ccc(F)cc1)N1CC(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)C1 ZINC000217735847 241273403 /nfs/dbraw/zinc/27/34/03/241273403.db2.gz GTSQSIJTBOCJTF-GASCZTMLSA-N 0 0 343.358 1.993 50 70 EDIARN CN(CC(=O)N1CCC[C@@H](c2ccncn2)C1)Cc1cccnc1 ZINC000217133004 241236258 /nfs/dbraw/zinc/23/62/58/241236258.db2.gz KXNKMSAUEJTARR-MRXNPFEDSA-N 0 0 325.416 1.710 50 70 EDIARN CN1C[C@]2(CCN(C(=O)COc3ncnc4ccccc43)C2)OC1=O ZINC000217160935 241237833 /nfs/dbraw/zinc/23/78/33/241237833.db2.gz UARCCNBIYPIGBU-KRWDZBQOSA-N 0 0 342.355 1.062 50 70 EDIARN Cc1nnc([C@H]2CCCN2C(=O)CC2=CSC3=NCCCN23)[nH]1 ZINC000217177668 241239266 /nfs/dbraw/zinc/23/92/66/241239266.db2.gz ZYVGQCVLPFDEOB-GFCCVEGCSA-N 0 0 332.433 1.817 50 70 EDIARN O=C(NCC[C@@H](O)c1ccsc1)C(=O)NCc1ccc(F)cc1 ZINC000217541790 241257636 /nfs/dbraw/zinc/25/76/36/241257636.db2.gz GLSOZTNYAVJQQS-CQSZACIVSA-N 0 0 336.388 1.743 50 70 EDIARN CCn1ccc(C(=O)N[C@@H]2CCOC[C@H]2OCc2c(C)noc2C)n1 ZINC000218397061 241319734 /nfs/dbraw/zinc/31/97/34/241319734.db2.gz NQJUCOAEWRWROE-GDBMZVCRSA-N 0 0 348.403 1.612 50 70 EDIARN COc1cccc(N2CCN(C(=O)[C@@H]3CC(=O)OC3(C)C)CC2)c1 ZINC000218487705 241326114 /nfs/dbraw/zinc/32/61/14/241326114.db2.gz FTSKRIZXYPEEPQ-HNNXBMFYSA-N 0 0 332.400 1.686 50 70 EDIARN O=C(CCCNC(=O)c1cnccn1)NCc1nc2ccccc2[nH]1 ZINC000218474623 241326445 /nfs/dbraw/zinc/32/64/45/241326445.db2.gz WMAYMKKIVKINGP-UHFFFAOYSA-N 0 0 338.371 1.179 50 70 EDIARN Cc1c(CN2CCn3nc([C@@H](O)CO)cc3C2)[nH]c2ccc(F)cc12 ZINC000218518956 241328072 /nfs/dbraw/zinc/32/80/72/241328072.db2.gz FWEDKPPXEAVHOK-SFHVURJKSA-N 0 0 344.390 1.853 50 70 EDIARN Cc1nn(C)c(C)c1NC(=O)CCN1C(=O)CC2(CCCC2)C1=O ZINC000218142130 241299758 /nfs/dbraw/zinc/29/97/58/241299758.db2.gz MPLGGOGRXLQZGV-UHFFFAOYSA-N 0 0 332.404 1.685 50 70 EDIARN Cc1[nH][nH]c(=O)c1[C@H](CC(N)=O)c1c(Cl)nc2sccn21 ZINC000218221534 241306498 /nfs/dbraw/zinc/30/64/98/241306498.db2.gz JXTVSCAWQYUMMA-LURJTMIESA-N 0 0 325.781 1.381 50 70 EDIARN O=C(NCCCN1CCOCC1)c1cnc2ccc(F)cc2c1O ZINC000218279660 241311092 /nfs/dbraw/zinc/31/10/92/241311092.db2.gz MNWBGFDLBRRJQY-UHFFFAOYSA-N 0 0 333.363 1.532 50 70 EDIARN O=C(CN1CCc2ccccc2C1)NCc1nnc(-c2ccncc2)[nH]1 ZINC000218643687 241337537 /nfs/dbraw/zinc/33/75/37/241337537.db2.gz CMCAZXFXTCUVSE-UHFFFAOYSA-N 0 0 348.410 1.541 50 70 EDIARN CC(=O)N1CCN(C(=O)[C@@H](C)n2nc(C3CC3)nc2C2CC2)CC1 ZINC000161479604 302926910 /nfs/dbraw/zinc/92/69/10/302926910.db2.gz ORJHHRMVQZDVBR-LLVKDONJSA-N 0 0 331.420 1.285 50 70 EDIARN CN1CC[C@H](NC(=O)NCCn2ccnc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000160708039 441912316 /nfs/dbraw/zinc/91/23/16/441912316.db2.gz WCGVJUVBPOECAZ-HOTGVXAUSA-N 0 0 349.385 1.906 50 70 EDIARN O=C(Cc1c(F)cccc1Cl)N1CC(N2C(=O)CSC2=O)C1 ZINC000217746186 241272205 /nfs/dbraw/zinc/27/22/05/241272205.db2.gz NIOGHRFHGSIBNW-UHFFFAOYSA-N 0 0 342.779 1.928 50 70 EDIARN CCc1nc(C)ccc1OCC(=O)N1CCn2nc([C@@H](C)O)cc2C1 ZINC000217968464 241287844 /nfs/dbraw/zinc/28/78/44/241287844.db2.gz RQCJAFKFYBSKLR-CYBMUJFWSA-N 0 0 344.415 1.623 50 70 EDIARN Cn1nccc1[C@H](O)c1cc2n(n1)CCN(c1ncc(Cl)cn1)C2 ZINC000218271275 241311226 /nfs/dbraw/zinc/31/12/26/241311226.db2.gz BOOKMRCOJWDLMI-CQSZACIVSA-N 0 0 345.794 1.162 50 70 EDIARN CCOc1ccc(CC(=O)N2CCN(c3ncc[nH]c3=O)CC2)cc1 ZINC000218769547 241344160 /nfs/dbraw/zinc/34/41/60/241344160.db2.gz QQDCDBBNGPOZIQ-UHFFFAOYSA-N 0 0 342.399 1.060 50 70 EDIARN CC1(C)S[C@H]2c3ccccc3C(=O)N2[C@@H]1C(=O)Nc1nc[nH]n1 ZINC000218515045 281434779 /nfs/dbraw/zinc/43/47/79/281434779.db2.gz BHBHRRHLEROGOD-MFKMUULPSA-N 0 0 329.385 1.792 50 70 EDIARN CCc1ccc(S(=O)(=O)N2CC[C@@H](SCC(=O)OC)C2)s1 ZINC000217567457 241261519 /nfs/dbraw/zinc/26/15/19/241261519.db2.gz VLCVJEXPQLCJAR-LLVKDONJSA-N 0 0 349.499 1.980 50 70 EDIARN CC(C)[C@@H](CO)NC(=O)CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O ZINC000217594073 241263141 /nfs/dbraw/zinc/26/31/41/241263141.db2.gz ZOPVEJKOSAIVKU-LSDHHAIUSA-N 0 0 347.415 1.020 50 70 EDIARN Cc1cc(O[C@@H]2CCN(S(=O)(=O)c3ccccc3)C2)cc(=O)n1C ZINC000217773914 241274383 /nfs/dbraw/zinc/27/43/83/241274383.db2.gz AIGFZLNASNEVPK-CQSZACIVSA-N 0 0 348.424 1.536 50 70 EDIARN OC[C@@H](O)c1cc2n(n1)CCCN(c1nc3ccccc3s1)C2 ZINC000216981598 241231213 /nfs/dbraw/zinc/23/12/13/241231213.db2.gz CTLRDEDCNPEWTO-CQSZACIVSA-N 0 0 330.413 1.929 50 70 EDIARN O=C(c1cc(=O)c2ccccc2o1)N1CCn2nc(CO)cc2C1 ZINC000217036894 241233029 /nfs/dbraw/zinc/23/30/29/241233029.db2.gz SANCABSHGQNYNE-UHFFFAOYSA-N 0 0 325.324 1.138 50 70 EDIARN C[C@@H](O)c1cc2n(n1)CCCN(C(=O)C1(Cn3ccnc3)CC1)C2 ZINC000217541488 241257575 /nfs/dbraw/zinc/25/75/75/241257575.db2.gz SJICWFARHATJMY-CYBMUJFWSA-N 0 0 329.404 1.346 50 70 EDIARN O=C(CC[C@@H]1NC(=O)N(c2ccccc2)C1=O)NCc1ccccn1 ZINC000218506316 241327769 /nfs/dbraw/zinc/32/77/69/241327769.db2.gz HSZJLGNPANRCIQ-HNNXBMFYSA-N 0 0 338.367 1.603 50 70 EDIARN CC[C@H](NC(=O)Cc1c[nH]c(=O)[nH]c1=O)c1nc2cc(C)ccc2[nH]1 ZINC000217895848 241281811 /nfs/dbraw/zinc/28/18/11/241281811.db2.gz KKCRAHXXUUOTIS-NSHDSACASA-N 0 0 341.371 1.058 50 70 EDIARN O=C(CCCn1cccn1)N[C@@H](Cc1ccccn1)[C@H]1C[C@H](O)C1 ZINC000218096430 241298079 /nfs/dbraw/zinc/29/80/79/241298079.db2.gz OIBSOKSALZPYTP-UAGQMJEPSA-N 0 0 328.416 1.557 50 70 EDIARN Nc1nc(C(=O)N[C@@H]2COCC[C@@H]2OCc2ccccc2)cs1 ZINC000218325927 241315774 /nfs/dbraw/zinc/31/57/74/241315774.db2.gz LSOMVTZIHOUETB-OCCSQVGLSA-N 0 0 333.413 1.829 50 70 EDIARN CN(CCN1CCCCC1=O)C(=O)c1ccc(N2CCOCC2)cc1 ZINC000218545695 241331430 /nfs/dbraw/zinc/33/14/30/241331430.db2.gz VREHRTOMWNZDDU-UHFFFAOYSA-N 0 0 345.443 1.608 50 70 EDIARN COCCc1nc(CNC(=O)c2cc3c(cc2C)OCCO3)no1 ZINC000218538986 536835662 /nfs/dbraw/zinc/83/56/62/536835662.db2.gz HBRQFFJTARACFI-UHFFFAOYSA-N 0 0 333.344 1.268 50 70 EDIARN COc1ccc2c(c1)C[C@H](C(=O)NCCCn1ccccc1=O)CO2 ZINC000217731832 536988487 /nfs/dbraw/zinc/98/84/87/536988487.db2.gz UTYUNZYRRITYKB-HNNXBMFYSA-N 0 0 342.395 1.615 50 70 EDIARN COc1ccccc1C(=O)N1Cc2cnc(N3CCOCC3)nc2C1 ZINC000217607525 241263107 /nfs/dbraw/zinc/26/31/07/241263107.db2.gz YZXDYAIYUNAVDZ-UHFFFAOYSA-N 0 0 340.383 1.478 50 70 EDIARN CN1C[C@]2(CCN(C(=O)CC3=CSC4=NCCCN34)C2)OC1=O ZINC000217667345 241266880 /nfs/dbraw/zinc/26/68/80/241266880.db2.gz OHYOLLWEKAELHQ-HNNXBMFYSA-N 0 0 336.417 1.080 50 70 EDIARN Cc1nnc([C@H]2CCCN(C(=O)CC3=CSC4=NCCCN34)C2)[nH]1 ZINC000217500291 241254443 /nfs/dbraw/zinc/25/44/43/241254443.db2.gz SSRZLJPCQCUJHF-LBPRGKRZSA-N 0 0 346.460 1.859 50 70 EDIARN Cc1[nH]c2c(c1C(=O)NCCc1cc(=O)[nH]c(C)n1)C(=O)CCC2 ZINC000218154406 241302379 /nfs/dbraw/zinc/30/23/79/241302379.db2.gz JVMFIHNYIKDXHL-UHFFFAOYSA-N 0 0 328.372 1.619 50 70 EDIARN COC[C@@H]1[C@H](NC(=O)c2cn(C)c3ccccc3c2=O)[C@@H]2CCO[C@H]12 ZINC000218301329 241313161 /nfs/dbraw/zinc/31/31/61/241313161.db2.gz COYAHIMUNXNPKX-VYOUMLOHSA-N 0 0 342.395 1.318 50 70 EDIARN Cc1noc(C)c1CCCNC(=O)c1ccc(-n2cnnn2)cc1O ZINC000218751158 241343462 /nfs/dbraw/zinc/34/34/62/241343462.db2.gz LAMUNPOUVFLMLF-UHFFFAOYSA-N 0 0 342.359 1.335 50 70 EDIARN Cc1cc(C(=O)N2CCn3nc([C@H](O)C4CC4)cc3C2)c(C)n1C ZINC000218749539 241343943 /nfs/dbraw/zinc/34/39/43/241343943.db2.gz CITKSKWLTVIPQI-QGZVFWFLSA-N 0 0 328.416 1.938 50 70 EDIARN O=C(Nc1cnn(CC2CCOCC2)c1)c1c[nH]c(=O)c(Cl)c1 ZINC000218231505 443058410 /nfs/dbraw/zinc/05/84/10/443058410.db2.gz MPSZDMYSCZUBTQ-UHFFFAOYSA-N 0 0 336.779 1.904 50 70 EDIARN CCNC(=O)N1CCC(NC(=O)[C@H]2Cc3cc(C)ccc3N2)CC1 ZINC000218713690 535790929 /nfs/dbraw/zinc/79/09/29/535790929.db2.gz IMVTYKVLLXVOII-MRXNPFEDSA-N 0 0 330.432 1.642 50 70 EDIARN CN(C)c1ccc(C(=O)N2CCC(N3CCNC3=O)CC2)c(F)c1 ZINC000159724456 529775525 /nfs/dbraw/zinc/77/55/25/529775525.db2.gz YEPRNELOHFAOHU-UHFFFAOYSA-N 0 0 334.395 1.522 50 70 EDIARN O=C(Cc1ccc2c(c1)OCO2)N1CC[C@H](N2C(=O)CSC2=O)C1 ZINC000217786510 241274835 /nfs/dbraw/zinc/27/48/35/241274835.db2.gz OUJIFLYUQSEMSI-NSHDSACASA-N 0 0 348.380 1.254 50 70 EDIARN CCc1nnc(SCC(=O)NC[C@@H]2OCCc3ccccc32)[nH]1 ZINC000216913255 241220725 /nfs/dbraw/zinc/22/07/25/241220725.db2.gz RVSCJLKEJVEKJG-ZDUSSCGKSA-N 0 0 332.429 1.889 50 70 EDIARN Cc1nnc(CN(C)C(=O)CN2CCN(c3cccc(C)c3)CC2)o1 ZINC000216973781 241231506 /nfs/dbraw/zinc/23/15/06/241231506.db2.gz YGFQBRZDTDCKKQ-UHFFFAOYSA-N 0 0 343.431 1.467 50 70 EDIARN C[C@H](Oc1ccc(F)cc1F)C(=O)NCCSc1nncn1C ZINC000217165095 241238198 /nfs/dbraw/zinc/23/81/98/241238198.db2.gz ZOVQXEJARNECMK-VIFPVBQESA-N 0 0 342.371 1.769 50 70 EDIARN O=C(N[C@@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1)c1cnc2cccnn21 ZINC000218497925 241327314 /nfs/dbraw/zinc/32/73/14/241327314.db2.gz ULFKMDQDAAIXLD-QEJZJMRPSA-N 0 0 337.383 1.236 50 70 EDIARN CSCC[C@@H](CO)NC(=O)c1[nH]nc2c1COc1ccccc1-2 ZINC000218313726 241314007 /nfs/dbraw/zinc/31/40/07/241314007.db2.gz LVUPBCNRYQXSFT-JTQLQIEISA-N 0 0 333.413 1.813 50 70 EDIARN Nc1nc(N)nc(S[C@H]2CCCN(c3ccccc3F)C2=O)n1 ZINC000160443485 225416142 /nfs/dbraw/zinc/41/61/42/225416142.db2.gz JYZHGZUAKJOPGF-JTQLQIEISA-N 0 0 334.380 1.463 50 70 EDIARN CC(C)Cc1cc(C(=O)N(C)Cc2cnc3ccccn23)[nH]c(=O)n1 ZINC000216908633 535333324 /nfs/dbraw/zinc/33/33/24/535333324.db2.gz BRQZOPWAMPPAQM-UHFFFAOYSA-N 0 0 339.399 1.888 50 70 EDIARN CN(Cc1nccs1)C(=O)[C@H]1Cc2ccccc2S(=O)(=O)N1 ZINC000217798189 536486519 /nfs/dbraw/zinc/48/65/19/536486519.db2.gz GQDSZAZBPSDQAM-LLVKDONJSA-N 0 0 337.426 1.005 50 70 EDIARN Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)N1CCNC(=O)CC1)O2 ZINC000217728718 241273230 /nfs/dbraw/zinc/27/32/30/241273230.db2.gz LAWGJBGZDPKFIQ-IBGZPJMESA-N 0 0 346.427 1.750 50 70 EDIARN Cc1noc(C)c1C(=O)N1CC[C@H](Oc2cc(C)n(C)c(=O)c2)C1 ZINC000217773231 241275552 /nfs/dbraw/zinc/27/55/52/241275552.db2.gz ZRKZCCPAKXXCIT-ZDUSSCGKSA-N 0 0 331.372 1.592 50 70 EDIARN CN1C[C@@]2(CCN(C(=O)COc3ncnc4ccccc43)C2)OC1=O ZINC000217160925 241238724 /nfs/dbraw/zinc/23/87/24/241238724.db2.gz UARCCNBIYPIGBU-QGZVFWFLSA-N 0 0 342.355 1.062 50 70 EDIARN Nc1n[nH]c(C(=O)N2CCCN(Cc3cccnc3)CC2)c1Cl ZINC000217214226 241241314 /nfs/dbraw/zinc/24/13/14/241241314.db2.gz KAXSMIRJJKHDOC-UHFFFAOYSA-N 0 0 334.811 1.388 50 70 EDIARN CCn1nc(C)c(CNC(=O)c2ccc(N(C)CCO)cc2)c1C ZINC000217393874 241247423 /nfs/dbraw/zinc/24/74/23/241247423.db2.gz LUHFYIZEQAFTFM-UHFFFAOYSA-N 0 0 330.432 1.878 50 70 EDIARN CCCN1C(=O)N[C@@H](CC(=O)NCc2ccc3c(c2)CCCO3)C1=O ZINC000218129226 241300053 /nfs/dbraw/zinc/30/00/53/241300053.db2.gz WRXPDZJCQCLXON-AWEZNQCLSA-N 0 0 345.399 1.348 50 70 EDIARN Cc1csc(S(=O)(=O)N[C@@H](c2cnn(C)c2)C2CC(O)C2)c1 ZINC000218154547 241301269 /nfs/dbraw/zinc/30/12/69/241301269.db2.gz RJBOZFKEILKWEE-MMWSSPAHSA-N 0 0 341.458 1.581 50 70 EDIARN O=C(NCCN1CCOCC1)c1cnc2ccc(Cl)cc2c1O ZINC000218266234 241311320 /nfs/dbraw/zinc/31/13/20/241311320.db2.gz JDEUSLNCDYNHOO-UHFFFAOYSA-N 0 0 335.791 1.656 50 70 EDIARN CC(C)[C@@H](CO)NC(=O)C1CCN(c2ccc(Cl)nn2)CC1 ZINC000218290344 241314072 /nfs/dbraw/zinc/31/40/72/241314072.db2.gz IQAIBVNPTZMYNT-GFCCVEGCSA-N 0 0 326.828 1.480 50 70 EDIARN COc1coc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1=O ZINC000218554660 241330987 /nfs/dbraw/zinc/33/09/87/241330987.db2.gz FNFSRMXMQYVXCR-UHFFFAOYSA-N 0 0 328.368 1.606 50 70 EDIARN CC(C)Cc1nnc(NC(=O)COc2ccc3c(c2)NC(=O)CC3)[nH]1 ZINC000218596203 241332721 /nfs/dbraw/zinc/33/27/21/241332721.db2.gz JKUGCDBFRUHAEG-UHFFFAOYSA-N 0 0 343.387 1.905 50 70 EDIARN COC(=O)C[C@@H](c1cccc(O)c1)c1c(O)c(C(=O)OC)c[nH]c1=O ZINC000217943959 536313140 /nfs/dbraw/zinc/31/31/40/536313140.db2.gz SJCDOXXINQQFJU-NSHDSACASA-N 0 0 347.323 1.268 50 70 EDIARN Cc1ccccc1C(=O)N1CCC(S(=O)(=O)c2nccn2C)CC1 ZINC000217695754 241270304 /nfs/dbraw/zinc/27/03/04/241270304.db2.gz RNNKALFVXYHCBA-UHFFFAOYSA-N 0 0 347.440 1.807 50 70 EDIARN O=C(c1cc2ccccc2[nH]1)N1CC(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)C1 ZINC000217729587 241273188 /nfs/dbraw/zinc/27/31/88/241273188.db2.gz DJFYEWPYMFRPQG-GASCZTMLSA-N 0 0 349.390 1.944 50 70 EDIARN COc1ccccc1CNC(=O)CN1CCn2nc([C@H](C)O)cc2C1 ZINC000217012173 241231233 /nfs/dbraw/zinc/23/12/33/241231233.db2.gz FSCRDOPNOYDBKR-ZDUSSCGKSA-N 0 0 344.415 1.077 50 70 EDIARN C[C@@H](O)c1cc2n(n1)CCN(C(=O)c1csc(CN(C)C)n1)C2 ZINC000217137267 241235955 /nfs/dbraw/zinc/23/59/55/241235955.db2.gz KGQIIEDBASVCKL-SNVBAGLBSA-N 0 0 335.433 1.111 50 70 EDIARN COc1ccc(C(=O)NCCc2nc(-c3cccnc3)no2)cc1O ZINC000217397403 241246027 /nfs/dbraw/zinc/24/60/27/241246027.db2.gz GYIMYLNQHBCTGJ-UHFFFAOYSA-N 0 0 340.339 1.818 50 70 EDIARN O=C(N[C@H]1CCOC2(CCCCC2)C1)c1cnc2n(c1=O)CCS2 ZINC000161477844 295885756 /nfs/dbraw/zinc/88/57/56/295885756.db2.gz JOKSTIKRUWAMQV-LBPRGKRZSA-N 0 0 349.456 1.961 50 70 EDIARN CCCNC(=O)C[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O ZINC000217591908 241260536 /nfs/dbraw/zinc/26/05/36/241260536.db2.gz LRSIBZUYLGOETQ-HNNXBMFYSA-N 0 0 342.399 1.547 50 70 EDIARN O=C(Cn1cnc2ccccc2c1=O)N1CCC[C@H](c2ccncn2)C1 ZINC000217628012 241263830 /nfs/dbraw/zinc/26/38/30/241263830.db2.gz RWHYAHJTZRQJEL-AWEZNQCLSA-N 0 0 349.394 1.593 50 70 EDIARN O=C(Nc1ccc(F)cc1)N1CC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 ZINC000217736023 241272721 /nfs/dbraw/zinc/27/27/21/241272721.db2.gz GTSQSIJTBOCJTF-HUUCEWRRSA-N 0 0 343.358 1.993 50 70 EDIARN Cc1cccc(=O)n1CCCNC(=O)Cn1c2ccccc2oc1=O ZINC000217031108 241234377 /nfs/dbraw/zinc/23/43/77/241234377.db2.gz LUIWGYJVXNWDRH-UHFFFAOYSA-N 0 0 341.367 1.271 50 70 EDIARN COCCNc1nc2cc(C(=O)N(C)Cc3cc[nH]n3)ccc2n1C ZINC000217101419 241235753 /nfs/dbraw/zinc/23/57/53/241235753.db2.gz HWCNLRYJNHUPHV-UHFFFAOYSA-N 0 0 342.403 1.627 50 70 EDIARN O=c1cc(N2CCCn3nc([C@H](O)c4ccccc4)cc3C2)nc[nH]1 ZINC000217155070 241238098 /nfs/dbraw/zinc/23/80/98/241238098.db2.gz NEDVJYRLTAMWQY-GOSISDBHSA-N 0 0 337.383 1.871 50 70 EDIARN COc1cc([C@@H](CC(N)=O)c2oc(C)cc(=O)c2O)cc2c1OCO2 ZINC000217860126 241279769 /nfs/dbraw/zinc/27/97/69/241279769.db2.gz WWAORAMJIPITRD-SNVBAGLBSA-N 0 0 347.323 1.398 50 70 EDIARN Cc1nc([C@H]2C[C@@H](NC(=O)c3ccc4c(c3)OCO4)C2)cc(=O)[nH]1 ZINC000217998433 241289992 /nfs/dbraw/zinc/28/99/92/241289992.db2.gz MEKKHTYXAZMOEJ-HAQNSBGRSA-N 0 0 327.340 1.483 50 70 EDIARN COc1nc(C)nc(N2CCC(c3ccnn3CCO)CC2)c1C ZINC000159368767 533182103 /nfs/dbraw/zinc/18/21/03/533182103.db2.gz BIYKFTYRPLUDHE-UHFFFAOYSA-N 0 0 331.420 1.675 50 70 EDIARN Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC000218607560 292336611 /nfs/dbraw/zinc/33/66/11/292336611.db2.gz YFALQPJHDIZLNH-CYBMUJFWSA-N 0 0 343.383 1.414 50 70 EDIARN Cc1ccccc1[C@H](C(=O)N1CCC2(CCC(=O)N2)CC1)N(C)C ZINC000217200111 302170237 /nfs/dbraw/zinc/17/02/37/302170237.db2.gz DUABOCISSTYKIA-QGZVFWFLSA-N 0 0 329.444 1.869 50 70 EDIARN