smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c2ccc(CNC(=O)[C@@H]3CCc4ccccc4O3)cc2n(C)c1=O ZINC000218520053 206372269 /nfs/dbraw/zinc/37/22/69/206372269.db2.gz XNWRXEIFSSSTAT-SFHVURJKSA-N 0 0 351.406 1.887 50 70 FDIARN C[C@@H](O)c1cc2n(n1)CCN(C(=O)c1cnc3ccc(F)cc3c1O)C2 ZINC000217207030 206363432 /nfs/dbraw/zinc/36/34/32/206363432.db2.gz PNBOYHWZEXKPFJ-SNVBAGLBSA-N 0 0 356.357 1.985 50 70 FDIARN C[C@@H](O)c1cc2n(n1)CCCN(C(=O)Cn1cnc3ccsc3c1=O)C2 ZINC000217555210 206363840 /nfs/dbraw/zinc/36/38/40/206363840.db2.gz YJYLESQBCYBSMS-LLVKDONJSA-N 0 0 373.438 1.140 50 70 FDIARN CN(Cc1nc2cc(F)ccc2[nH]1)C(=O)c1sccc1S(N)(=O)=O ZINC000217812933 206365199 /nfs/dbraw/zinc/36/51/99/206365199.db2.gz NBRIXNNEPNMFRU-UHFFFAOYSA-N 0 0 368.415 1.683 50 70 FDIARN COc1ccc([C@@H](CC(N)=O)c2oc(C)cc(=O)c2O)c(OC)c1OC ZINC000217702066 206366295 /nfs/dbraw/zinc/36/62/95/206366295.db2.gz DWMYDORCKFHIRJ-LLVKDONJSA-N 0 0 363.366 1.687 50 70 FDIARN O=C(N[C@@H]1CCOC[C@H]1OCc1ccccn1)c1nc2cccnc2[nH]1 ZINC000218116159 206367401 /nfs/dbraw/zinc/36/74/01/206367401.db2.gz ZDWXWZIUAJRKAL-UKRRQHHQSA-N 0 0 353.382 1.457 50 70 FDIARN Cn1nc2n(c1=O)C[C@@H](C(=O)NCC1(c3ccc(F)cc3)CCCC1)CC2 ZINC000218296967 206368506 /nfs/dbraw/zinc/36/85/06/206368506.db2.gz CMGYXXGRQGXKRN-AWEZNQCLSA-N 0 0 372.444 1.912 50 70 FDIARN O=C(CN1CCN(c2ncccn2)CC1)N1CC(Oc2ccccc2F)C1 ZINC000218751015 132273049 /nfs/dbraw/zinc/27/30/49/132273049.db2.gz DRJMYQWHTAIWLY-UHFFFAOYSA-N 0 0 371.416 1.028 50 70 FDIARN CCN(Cc1noc(C2CCC2)n1)C(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC000218171433 521468408 /nfs/dbraw/zinc/46/84/08/521468408.db2.gz NMTRBXBQNXNSSM-LBPRGKRZSA-N 0 0 356.448 1.110 50 70 FDIARN CCN1CCN(C(=O)NCCn2ccc(-c3ccsc3)n2)C(=O)C1=O ZINC000217891450 521665215 /nfs/dbraw/zinc/66/52/15/521665215.db2.gz NYOBMGBOHRKKHU-UHFFFAOYSA-N 0 0 361.427 1.012 50 70 FDIARN COCc1nc(C)c(CNC(=O)[C@@H](C)Sc2nc(C)cc(=O)[nH]2)s1 ZINC000218496669 523188062 /nfs/dbraw/zinc/18/80/62/523188062.db2.gz KVJHXQKXQJGAFI-SNVBAGLBSA-N 0 0 368.484 1.787 50 70 FDIARN COC(=O)CS[C@@H]1CCN(C(=O)Cc2ccc(NC(C)=O)cc2)C1 ZINC000217562131 523248803 /nfs/dbraw/zinc/24/88/03/523248803.db2.gz RWISNSWDFQQRHB-OAHLLOKOSA-N 0 0 350.440 1.695 50 70 FDIARN COc1ccc(C(=O)N[C@@H]2CCOC[C@H]2OCc2cscn2)cc1O ZINC000218142951 523725996 /nfs/dbraw/zinc/72/59/96/523725996.db2.gz SGRPABSSFVRCDX-CZUORRHYSA-N 0 0 364.423 1.961 50 70 FDIARN O=C(CCN1Cc2ccccc2C1=O)N[C@@H]1CCCN(c2cnccn2)C1 ZINC000217345164 526496028 /nfs/dbraw/zinc/49/60/28/526496028.db2.gz ZFHZNFIKKZVCDX-MRXNPFEDSA-N 0 0 365.437 1.608 50 70 FDIARN Cc1nc(SCCNC(=O)[C@@H](C)Oc2ccc3c(c2)OCO3)n[nH]1 ZINC000218218269 526531108 /nfs/dbraw/zinc/53/11/08/526531108.db2.gz DENAEVCVYPKXKP-SECBINFHSA-N 0 0 350.400 1.518 50 70 FDIARN O=C(COc1ncnc2ccccc21)N1CCC[C@]2(CNC(=O)O2)CC1 ZINC000217776750 527004356 /nfs/dbraw/zinc/00/43/56/527004356.db2.gz KZQODPCCLYBRJT-GOSISDBHSA-N 0 0 356.382 1.500 50 70 FDIARN Cn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)CCc2nc3ccccc3s2)C1 ZINC000218309233 527064202 /nfs/dbraw/zinc/06/42/02/527064202.db2.gz CZLLGWCEWLKPQE-HAQNSBGRSA-N 0 0 371.466 1.912 50 70 FDIARN O=S1(=O)CCN(Cc2ccc(OCCCN3CCOCC3)cc2)CC1 ZINC000217482200 527307142 /nfs/dbraw/zinc/30/71/42/527307142.db2.gz UBGJHPAJTATZCD-UHFFFAOYSA-N 0 0 368.499 1.018 50 70 FDIARN O=C(Cc1cn2ccsc2n1)N[C@H](Cc1ccccn1)[C@H]1C[C@H](O)C1 ZINC000218552529 527323100 /nfs/dbraw/zinc/32/31/00/527323100.db2.gz MWAXCEPCQMZZEF-UHOFOFEASA-N 0 0 356.451 1.832 50 70 FDIARN Cn1ccnc1[C@H](O)c1cc2n(n1)CCN(C(=O)Cc1ccc(F)cc1)C2 ZINC000218455362 527468266 /nfs/dbraw/zinc/46/82/66/527468266.db2.gz ZIUPJTDGVKGCIO-GOSISDBHSA-N 0 0 369.400 1.422 50 70 FDIARN O=C(CN1CCOc2ccccc2C1)N1CCCO[C@H](Cn2cccn2)C1 ZINC000216927178 206361027 /nfs/dbraw/zinc/36/10/27/206361027.db2.gz YQLYGFICRJYVNC-SFHVURJKSA-N 0 0 370.453 1.395 50 70 FDIARN O=C(CN1CCOc2ccccc2C1)N1CCCn2nc(CO)cc2C1 ZINC000217037928 206361914 /nfs/dbraw/zinc/36/19/14/206361914.db2.gz PESVAAZRWYIELX-UHFFFAOYSA-N 0 0 356.426 1.002 50 70 FDIARN CC[C@H](NC(=O)Cn1cc(C)c(=O)[nH]c1=O)c1nc2cc(C)ccc2[nH]1 ZINC000217149036 206362907 /nfs/dbraw/zinc/36/29/07/206362907.db2.gz GVUCKTTVARJEKC-LBPRGKRZSA-N 0 0 355.398 1.297 50 70 FDIARN O=C(c1cc(F)c(F)cc1Cl)N1CCn2nc([C@@H](O)CO)cc2C1 ZINC000217452373 206363121 /nfs/dbraw/zinc/36/31/21/206363121.db2.gz ISOOKXYPJVHLEE-AWEZNQCLSA-N 0 0 357.744 1.496 50 70 FDIARN C[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1cc(=O)nc3sccn31)C2 ZINC000217633273 206363977 /nfs/dbraw/zinc/36/39/77/206363977.db2.gz ASMFEEKVVLJTOS-SNVBAGLBSA-N 0 0 359.411 1.052 50 70 FDIARN C[C@H](O)c1cc2n(n1)CCN(C(=O)c1cc(=O)[nH]c3ccc(F)cc31)C2 ZINC000217929352 206365590 /nfs/dbraw/zinc/36/55/90/206365590.db2.gz YNQVJDNPWYEDIL-JTQLQIEISA-N 0 0 356.357 1.573 50 70 FDIARN COc1ccccc1-c1ccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)cc1 ZINC000217723026 206365944 /nfs/dbraw/zinc/36/59/44/206365944.db2.gz DMAGQNSRGGHJRW-HZPDHXFCSA-N 0 0 361.419 1.250 50 70 FDIARN CCOc1ccc(S(=O)(=O)N2CC(N3C(=O)CSC3=O)C2)cc1F ZINC000217749604 206366000 /nfs/dbraw/zinc/36/60/00/206366000.db2.gz ULCHPAPUUWDFRD-UHFFFAOYSA-N 0 0 374.415 1.293 50 70 FDIARN Cn1nc(CN2CCn3nc([C@H](O)CO)cc3C2)c2c1cccc2Cl ZINC000218274669 206369181 /nfs/dbraw/zinc/36/91/81/206369181.db2.gz OVYQODUAZFEXJQ-MRXNPFEDSA-N 0 0 361.833 1.465 50 70 FDIARN CCNC(=O)N1CCC(NC(=O)Cn2c(C)cc(=O)c3ccccc32)CC1 ZINC000218412736 206370928 /nfs/dbraw/zinc/37/09/28/206370928.db2.gz ZAQLGNJLKGDYFC-UHFFFAOYSA-N 0 0 370.453 1.620 50 70 FDIARN Cc1nc(=O)[nH]c(C)c1CCC(=O)NC[C@H]1CC(=O)N(C)c2ccccc21 ZINC000217914567 132272762 /nfs/dbraw/zinc/27/27/62/132272762.db2.gz NDRCYCQFIMNPGH-CQSZACIVSA-N 0 0 368.437 1.998 50 70 FDIARN O=C(CCCc1cccs1)N1CCN(c2ccnc3nncn32)CC1 ZINC000217173029 263459488 /nfs/dbraw/zinc/45/94/88/263459488.db2.gz CPAHGWBIKNEVJR-UHFFFAOYSA-N 0 0 356.455 1.857 50 70 FDIARN COc1ccccc1CNC(=O)CN1CCn2nc([C@@H](O)C3CC3)cc2C1 ZINC000218221259 524464276 /nfs/dbraw/zinc/46/42/76/524464276.db2.gz UGGZGDSVJQWOGA-FQEVSTJZSA-N 0 0 370.453 1.467 50 70 FDIARN Cc1cc(CC(=O)N2CCn3nc([C@@H](O)c4ccccc4)cc3C2)on1 ZINC000217629415 524619177 /nfs/dbraw/zinc/61/91/77/524619177.db2.gz IXVCCMQUHDOFPD-IBGZPJMESA-N 0 0 352.394 1.846 50 70 FDIARN O=C(NC[C@H]1CCCS1(=O)=O)N1CCCN(c2ccccc2)CC1 ZINC000160025722 524791446 /nfs/dbraw/zinc/79/14/46/524791446.db2.gz ULFZSPUFGDMLLD-MRXNPFEDSA-N 0 0 351.472 1.486 50 70 FDIARN C[C@H](O)c1cc2n(n1)CCCN(C(=O)CCc1[nH]nc3c1CCCC3)C2 ZINC000217207109 525852297 /nfs/dbraw/zinc/85/22/97/525852297.db2.gz MMBULCBJWPRNLJ-ZDUSSCGKSA-N 0 0 357.458 1.903 50 70 FDIARN O=C(c1cccc(Cn2cccn2)c1)N1CCCn2nc(CO)cc2C1 ZINC000216998796 526763187 /nfs/dbraw/zinc/76/31/87/526763187.db2.gz SWAYYAYGQSQQKR-UHFFFAOYSA-N 0 0 351.410 1.666 50 70 FDIARN O=C(Cn1ccc2ccccc21)N1CC(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)C1 ZINC000217730714 527381808 /nfs/dbraw/zinc/38/18/08/527381808.db2.gz OANCYRTZNFAPPU-CALCHBBNSA-N 0 0 363.417 1.803 50 70 FDIARN Cn1cccc1CNC(=O)Cn1ccc2c1cccc2NS(C)(=O)=O ZINC000218159507 527393884 /nfs/dbraw/zinc/39/38/84/527393884.db2.gz JIGCKHQEFXGQDL-UHFFFAOYSA-N 0 0 360.439 1.668 50 70 FDIARN O=C(Cn1cnc2ccsc2c1=O)N[C@@H](c1ccccn1)[C@H]1C[C@@H](O)C1 ZINC000218583823 527405320 /nfs/dbraw/zinc/40/53/20/527405320.db2.gz OJXDQOPOYXMBAK-XHBSWPGZSA-N 0 0 370.434 1.481 50 70 FDIARN Cn1cccc1[C@H](O)CCNS(=O)(=O)c1cccc2nsnc21 ZINC000217944971 527407162 /nfs/dbraw/zinc/40/71/62/527407162.db2.gz BHXOUUZDRJOEMA-GFCCVEGCSA-N 0 0 352.441 1.432 50 70 FDIARN Cc1nn(C(C)C)c(C)c1S(=O)(=O)NCC[C@@H](O)C1CCOCC1 ZINC000217927023 527590274 /nfs/dbraw/zinc/59/02/74/527590274.db2.gz VKUGQJDBCVRCNX-OAHLLOKOSA-N 0 0 359.492 1.537 50 70 FDIARN Cc1c2ccccc2oc1CNC(=O)CCN(C)[C@H]1CCS(=O)(=O)C1 ZINC000218686559 206372927 /nfs/dbraw/zinc/37/29/27/206372927.db2.gz UZIVILPHTWZPNC-AWEZNQCLSA-N 0 0 364.467 1.866 50 70 FDIARN CSc1ncccc1C(=O)N1CC(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)C1 ZINC000217722003 206366224 /nfs/dbraw/zinc/36/62/24/206366224.db2.gz QXRBJXKWWOVPOG-BETUJISGSA-N 0 0 357.435 1.579 50 70 FDIARN COC[C@@H]1[C@H](NC(=O)CCS(=O)(=O)c2ccccc2)[C@@H]2CCO[C@H]12 ZINC000218110332 206366703 /nfs/dbraw/zinc/36/67/03/206366703.db2.gz PZFBPXGUKLNEPJ-ABFRBSLYSA-N 0 0 353.440 1.017 50 70 FDIARN Cn1ccnc1[C@@H](O)c1cc2n(n1)CCN(C(=O)CCC(F)(F)F)C2 ZINC000218070827 206367378 /nfs/dbraw/zinc/36/73/78/206367378.db2.gz RDEFDLJWVFMENV-ZDUSSCGKSA-N 0 0 357.336 1.383 50 70 FDIARN O=C(CCc1nc(Cl)n[nH]1)N[C@@H]1CCOC[C@H]1Oc1ccccn1 ZINC000218081444 206367422 /nfs/dbraw/zinc/36/74/22/206367422.db2.gz FIGORPQABHXYFP-GHMZBOCLSA-N 0 0 351.794 1.138 50 70 FDIARN Cc1cc(=O)c2ccccc2n1CC(=O)N1CCC[C@]2(CNC(=O)O2)C1 ZINC000218173265 206368682 /nfs/dbraw/zinc/36/86/82/206368682.db2.gz HJRZLZVGDBMTKV-IBGZPJMESA-N 0 0 355.394 1.411 50 70 FDIARN Cc1cc(C(=O)NCc2cnn3cccnc23)ccc1N1CCOCC1 ZINC000218013857 132272739 /nfs/dbraw/zinc/27/27/39/132272739.db2.gz WOYDJTDEQSNTRA-UHFFFAOYSA-N 0 0 351.410 1.804 50 70 FDIARN CC(=O)Nc1cccc2c1ccn2CC(=O)NCCCN1CCOCC1 ZINC000218241395 519750030 /nfs/dbraw/zinc/75/00/30/519750030.db2.gz HHOHDOJUZBOIKA-UHFFFAOYSA-N 0 0 358.442 1.438 50 70 FDIARN COCc1cc(N2CCn3nc([C@H](O)c4ccccc4)cc3C2)ncn1 ZINC000217455379 522929132 /nfs/dbraw/zinc/92/91/32/522929132.db2.gz SWZRLNDUTJGLFL-LJQANCHMSA-N 0 0 351.410 1.921 50 70 FDIARN COC(=O)CCNC(=O)c1cn(Cc2ccncc2)c(=O)c2ccccc12 ZINC000218530413 523102045 /nfs/dbraw/zinc/10/20/45/523102045.db2.gz RUNFZQDNTHYCRR-UHFFFAOYSA-N 0 0 365.389 1.738 50 70 FDIARN COC(=O)C[C@H](c1cccnc1)c1oc(CN2CCOCC2)cc(=O)c1O ZINC000217841254 523340727 /nfs/dbraw/zinc/34/07/27/523340727.db2.gz XUJSRGIHZSWGGO-OAHLLOKOSA-N 0 0 374.393 1.268 50 70 FDIARN CN1CCN(C(=O)COc2ccc3nncn3n2)C[C@@H]1c1ccccc1 ZINC000217359960 523873643 /nfs/dbraw/zinc/87/36/43/523873643.db2.gz ILBBLPWMKYEKFY-OAHLLOKOSA-N 0 0 352.398 1.018 50 70 FDIARN CN(C)C(=O)C[C@H](O)c1cc2n(n1)CCN(Cc1ccc(F)c(F)c1)C2 ZINC000218029316 523997988 /nfs/dbraw/zinc/99/79/88/523997988.db2.gz QXGKDWVOTLGQED-KRWDZBQOSA-N 0 0 364.396 1.689 50 70 FDIARN O=C(CC[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)Nc1cccnc1 ZINC000218309394 526561428 /nfs/dbraw/zinc/56/14/28/526561428.db2.gz JSDBQABMSMGKRT-INIZCTEOSA-N 0 0 352.394 1.963 50 70 FDIARN Cn1cc([C@H](NC(=O)CCc2nc3ccccc3[nH]2)C2CC(O)C2)cn1 ZINC000218148784 527313762 /nfs/dbraw/zinc/31/37/62/527313762.db2.gz JRZYFCALFGGRIA-JWIMFUQQSA-N 0 0 353.426 1.857 50 70 FDIARN OC[C@H](O)c1cc2n(n1)CCCN(Cc1c[nH]nc1-c1ccc(F)cc1)C2 ZINC000218061272 527612746 /nfs/dbraw/zinc/61/27/46/527612746.db2.gz YTHHOQVEDKWFGC-SFHVURJKSA-N 0 0 371.416 1.844 50 70 FDIARN COCc1nc([C@H]2C[C@@H](NC(=O)c3c(C)nc4sccn43)C2)cc(=O)[nH]1 ZINC000218642441 206371369 /nfs/dbraw/zinc/37/13/69/206371369.db2.gz GMRLFJFRYYWJEY-XYPYZODXSA-N 0 0 373.438 1.610 50 70 FDIARN Cn1cc([C@H](NC(=O)CCc2cn3ccccc3n2)[C@H]2C[C@H](O)C2)cn1 ZINC000218761395 206374779 /nfs/dbraw/zinc/37/47/79/206374779.db2.gz OXEPQKCTOGKFKQ-ACWOFJMJSA-N 0 0 353.426 1.629 50 70 FDIARN O=C(NCc1noc(-c2ccccc2)n1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000216916191 206360768 /nfs/dbraw/zinc/36/07/68/206360768.db2.gz UOCRKDIIYIAGMW-UHFFFAOYSA-N 0 0 363.333 1.196 50 70 FDIARN Nc1nccc(C2CCN(C(=O)C3(N4CCOCC4)CCCCC3)CC2)n1 ZINC000217190095 206362592 /nfs/dbraw/zinc/36/25/92/206362592.db2.gz LDYWIQIPSCXDLV-UHFFFAOYSA-N 0 0 373.501 1.800 50 70 FDIARN O=C(c1cccnc1N1CCCn2nc(CO)cc2C1)N1CCCCC1 ZINC000217407162 206363308 /nfs/dbraw/zinc/36/33/08/206363308.db2.gz WGPSCABDPSVQLB-UHFFFAOYSA-N 0 0 355.442 1.807 50 70 FDIARN O=C1[C@@H]2CC=CC[C@H]2C(=O)N1C1CN(S(=O)(=O)CCc2ccccc2)C1 ZINC000217738557 206365743 /nfs/dbraw/zinc/36/57/43/206365743.db2.gz QEMHKVFNMZWADB-IAGOWNOFSA-N 0 0 374.462 1.194 50 70 FDIARN Cc1noc(C)c1[C@H]1CCCN1C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000218147028 206367710 /nfs/dbraw/zinc/36/77/10/206367710.db2.gz MISJIDLXXFPKOY-CQSZACIVSA-N 0 0 354.366 1.799 50 70 FDIARN Cc1n[nH]c(C)c1CCNC(=O)c1ccc(C(=O)N2CCOCC2)cc1 ZINC000218199651 206368485 /nfs/dbraw/zinc/36/84/85/206368485.db2.gz RCBUPWKENKAZKT-UHFFFAOYSA-N 0 0 356.426 1.471 50 70 FDIARN Cc1cc(C)nc(NCC(=O)N2CCn3c(nnc3C(F)(F)F)C2)n1 ZINC000218185928 206368595 /nfs/dbraw/zinc/36/85/95/206368595.db2.gz JOCVVJWXIIBXII-UHFFFAOYSA-N 0 0 355.324 1.158 50 70 FDIARN C[C@@H](O)c1cc2n(n1)CCCN(c1ncc(F)c(N3CCOCC3)n1)C2 ZINC000217488241 132272122 /nfs/dbraw/zinc/27/21/22/132272122.db2.gz LGGKSPJWNYVEMQ-GFCCVEGCSA-N 0 0 362.409 1.112 50 70 FDIARN O=C(c1scc2c1OCCO2)N1CCN(c2ccc3nccn3n2)CC1 ZINC000217542745 132272428 /nfs/dbraw/zinc/27/24/28/132272428.db2.gz XHUAHZWCLRKGAL-UHFFFAOYSA-N 0 0 371.422 1.524 50 70 FDIARN CCOc1ccc(C)cc1S(=O)(=O)NCC[C@@H](O)C1CCOCC1 ZINC000217924971 520928012 /nfs/dbraw/zinc/92/80/12/520928012.db2.gz UICBXHLHSIZMHV-OAHLLOKOSA-N 0 0 357.472 1.850 50 70 FDIARN CCc1nnc(SCC(=O)N[C@H]2CCOC[C@H]2C2CCOCC2)[nH]1 ZINC000218123688 522132997 /nfs/dbraw/zinc/13/29/97/522132997.db2.gz TVMIBTDWNJPZOF-STQMWFEESA-N 0 0 354.476 1.407 50 70 FDIARN COCCNc1nc2cc(C(=O)N(C)C[C@@H]3COCCO3)ccc2n1C ZINC000217514380 523966838 /nfs/dbraw/zinc/96/68/38/523966838.db2.gz AXBMZCZITVQAIV-CQSZACIVSA-N 0 0 362.430 1.119 50 70 FDIARN Cc1[nH]c2c(c1CC(=O)N[C@@H]1CCOC[C@H]1OCCO)c(C)ccc2C ZINC000218358733 525416059 /nfs/dbraw/zinc/41/60/59/525416059.db2.gz RANITFJQNAWCJA-IAGOWNOFSA-N 0 0 360.454 1.918 50 70 FDIARN COc1cccc(C(=O)N2CCC(C(=O)N(C)Cc3cnccn3)CC2)c1 ZINC000217876858 525793947 /nfs/dbraw/zinc/79/39/47/525793947.db2.gz JOGZDMLOWKBVHF-UHFFFAOYSA-N 0 0 368.437 1.996 50 70 FDIARN CC(=O)N1CC(Nc2ccc(-c3nn4cnnc4s3)c(O)c2)=CC1=O ZINC000218573947 206371321 /nfs/dbraw/zinc/37/13/21/206371321.db2.gz UQDLGKMGVQQTCG-UHFFFAOYSA-N 0 0 356.367 1.243 50 70 FDIARN O=C(COc1ccccc1)NC1CCN(C2CCS(=O)(=O)CC2)CC1 ZINC000218779099 206374617 /nfs/dbraw/zinc/37/46/17/206374617.db2.gz MYBAWZQXBOIWSB-UHFFFAOYSA-N 0 0 366.483 1.223 50 70 FDIARN COc1cc(OC)c(CN2CCN3CCN(C)C(=O)[C@@H]3C2)cc1Cl ZINC000217356132 206362143 /nfs/dbraw/zinc/36/21/43/206362143.db2.gz NVMSUSYUZITPQS-AWEZNQCLSA-N 0 0 353.850 1.315 50 70 FDIARN O=C(CCn1ccc(=O)[nH]c1=O)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000217549277 206364358 /nfs/dbraw/zinc/36/43/58/206364358.db2.gz JYTRBQWVRDMZHN-OAHLLOKOSA-N 0 0 367.409 1.557 50 70 FDIARN O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1nnc(C2CCC2)[nH]1 ZINC000217704046 206365622 /nfs/dbraw/zinc/36/56/22/206365622.db2.gz CZUKKDMPNJUXPM-LBPRGKRZSA-N 0 0 354.370 1.152 50 70 FDIARN Cc1cc(CN2CCn3nc([C@H](O)CS(C)(=O)=O)cc3C2)ccc1F ZINC000218158013 206368649 /nfs/dbraw/zinc/36/86/49/206368649.db2.gz PSHBSROABSAQSZ-QGZVFWFLSA-N 0 0 367.446 1.424 50 70 FDIARN O=C(N[C@@H]1CCOC[C@H]1Oc1ccc(CO)cc1)c1cn2ccccc2n1 ZINC000218292988 206368993 /nfs/dbraw/zinc/36/89/93/206368993.db2.gz ONCLMIRSRQQREU-SJLPKXTDSA-N 0 0 367.405 1.793 50 70 FDIARN Cn1nc(CN2CCn3nc([C@@H](O)CO)cc3C2)c2c1cccc2Cl ZINC000218274592 206369106 /nfs/dbraw/zinc/36/91/06/206369106.db2.gz OVYQODUAZFEXJQ-INIZCTEOSA-N 0 0 361.833 1.465 50 70 FDIARN Cn1cc([C@@H](NS(=O)(=O)c2ccc(Cl)s2)C2CC(O)C2)cn1 ZINC000218482853 206370022 /nfs/dbraw/zinc/37/00/22/206370022.db2.gz ABPDZLZKNKLFEF-RHYVWVDMSA-N 0 0 361.876 1.926 50 70 FDIARN CCc1c(C)nn(CC(=O)N2CCN(c3ccc4nccn4n3)CC2)c1C ZINC000218019092 132272647 /nfs/dbraw/zinc/27/26/47/132272647.db2.gz XKROKCGYZJVVQA-UHFFFAOYSA-N 0 0 367.457 1.454 50 70 FDIARN COc1cc(OC)c(C(=O)CCC(=O)N2CCc3n[nH]cc3C2)cc1OC ZINC000217195409 522787061 /nfs/dbraw/zinc/78/70/61/522787061.db2.gz YQJRKOPMFKRBHK-UHFFFAOYSA-N 0 0 373.409 1.983 50 70 FDIARN Cc1cccc(NC(=O)COc2coc(CN3CCOCC3)cc2=O)n1 ZINC000218193982 524600371 /nfs/dbraw/zinc/60/03/71/524600371.db2.gz GROXDHGUIBVBDP-UHFFFAOYSA-N 0 0 359.382 1.193 50 70 FDIARN O=C(CN1CCCC1=O)N[C@@H](c1cnc2ccccc2c1)C1CC(O)C1 ZINC000218294027 526735638 /nfs/dbraw/zinc/73/56/38/526735638.db2.gz SPIBRHDOKDJHNF-QJXPYNDKSA-N 0 0 353.422 1.785 50 70 FDIARN O=C(CNC(=O)c1ccccc1)N[C@@H]1COCC[C@@H]1OCc1ccccc1 ZINC000218028891 526863514 /nfs/dbraw/zinc/86/35/14/526863514.db2.gz KKXJUGNRAOETIQ-MOPGFXCFSA-N 0 0 368.433 1.907 50 70 FDIARN Cn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)CCc2c[nH]c3ccccc23)C1 ZINC000218491133 527063208 /nfs/dbraw/zinc/06/32/08/527063208.db2.gz GPSGYMFTKPDHBL-HDJSIYSDSA-N 0 0 353.426 1.784 50 70 FDIARN Nc1nccc(C2CCN(C(=O)COc3ncnc4ccccc43)CC2)n1 ZINC000217213568 527567362 /nfs/dbraw/zinc/56/73/62/527567362.db2.gz JVDPEFGQTKMTEZ-UHFFFAOYSA-N 0 0 364.409 1.787 50 70 FDIARN Cc1ccccc1OC[C@@H](O)C(=O)N1CCCN(Cc2cccnc2)CC1 ZINC000217080727 537451568 /nfs/dbraw/zinc/45/15/68/537451568.db2.gz POFZPDGKNSMIDI-LJQANCHMSA-N 0 0 369.465 1.864 50 70 FDIARN CC[C@H](O)c1cc2n(n1)CCCN(C(=O)c1csc(CN(C)C)n1)C2 ZINC000217073405 537453120 /nfs/dbraw/zinc/45/31/20/537453120.db2.gz KOZBDSNXHZWKQN-HNNXBMFYSA-N 0 0 363.487 1.891 50 70 FDIARN COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1cccn(C)c1=O ZINC000217877729 537458074 /nfs/dbraw/zinc/45/80/74/537458074.db2.gz MSYVTVAXYXURHA-DOMZBBRYSA-N 0 0 374.368 1.360 50 70 FDIARN CN(CC(=O)N[C@@H]1COCC[C@@H]1Oc1ccccc1)Cc1ccncc1 ZINC000218745681 206373457 /nfs/dbraw/zinc/37/34/57/206373457.db2.gz KZJYOSFSTFLAGX-MOPGFXCFSA-N 0 0 355.438 1.866 50 70 FDIARN CC(=O)c1[nH]c(C)c(C(=O)N2CCC(c3nnc(CO)n3C)CC2)c1C ZINC000216917725 206361312 /nfs/dbraw/zinc/36/13/12/206361312.db2.gz ZMTNWAKBQUAQKS-UHFFFAOYSA-N 0 0 359.430 1.475 50 70 FDIARN CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@@H]2c1ccc(O)c(OC)c1 ZINC000217646376 206364300 /nfs/dbraw/zinc/36/43/00/206364300.db2.gz BLMKBQLWHZMFQB-SNVBAGLBSA-N 0 0 359.334 1.707 50 70 FDIARN O=C(NCCn1ccnc1-c1ccccn1)[C@@H]1COc2ccccc2O1 ZINC000217861024 206366040 /nfs/dbraw/zinc/36/60/40/206366040.db2.gz QTRLFUCLZBVDMR-KRWDZBQOSA-N 0 0 350.378 1.901 50 70 FDIARN CCOc1ccc(C(=O)N2CCn3nc([C@@H](O)c4nccn4C)cc3C2)o1 ZINC000218385481 206369805 /nfs/dbraw/zinc/36/98/05/206369805.db2.gz LUIZZGBWBLKQGI-MRXNPFEDSA-N 0 0 371.397 1.346 50 70 FDIARN CN1C[C@]2(CCN(C(=O)Cc3cc4c(cc3Cl)OCCO4)C2)OC1=O ZINC000218507026 206370107 /nfs/dbraw/zinc/37/01/07/206370107.db2.gz AEIRRYDAVLXSAI-KRWDZBQOSA-N 0 0 366.801 1.707 50 70 FDIARN CCCc1cc(C(=O)N[C@@H]2CCOC[C@H]2OCc2cscn2)[nH]n1 ZINC000218584704 521362065 /nfs/dbraw/zinc/36/20/65/521362065.db2.gz KFFUCMGGDLACBR-UKRRQHHQSA-N 0 0 350.444 1.923 50 70 FDIARN Cc1cccc(N(CC(=O)N[C@H](C)Cn2cccn2)S(C)(=O)=O)c1 ZINC000218579489 524524277 /nfs/dbraw/zinc/52/42/77/524524277.db2.gz LINNKZOYDZEWRR-CQSZACIVSA-N 0 0 350.444 1.162 50 70 FDIARN Cc1cc(NC(=O)C2CCN(CCCS(=O)(=O)C(C)C)CC2)no1 ZINC000160621463 524931152 /nfs/dbraw/zinc/93/11/52/524931152.db2.gz WXCLQQNBIAMXJR-UHFFFAOYSA-N 0 0 357.476 1.847 50 70 FDIARN COc1ccc([C@H](NC(=O)CCc2[nH]nc(C)c2C)[C@H]2C[C@@H](O)C2)cn1 ZINC000218491823 525365831 /nfs/dbraw/zinc/36/58/31/525365831.db2.gz BNTFDRVHFATSIB-DOXZYTNZSA-N 0 0 358.442 1.991 50 70 FDIARN Cc1ccc(S[C@@H](C)C(=O)N2CCN(c3ncc[nH]c3=O)CC2)cc1 ZINC000217440150 525665066 /nfs/dbraw/zinc/66/50/66/525665066.db2.gz RVHZTBXDBGLAQZ-AWEZNQCLSA-N 0 0 358.467 1.908 50 70 FDIARN O=C(COc1ncnc2ccccc21)N1CCCn2nc(CO)cc2C1 ZINC000217598093 527003620 /nfs/dbraw/zinc/00/36/20/527003620.db2.gz PAJTZMVIPGGIRO-UHFFFAOYSA-N 0 0 353.382 1.130 50 70 FDIARN O=C(Cn1ccc2ccccc21)N1CCCn2nc([C@@H](O)CO)cc2C1 ZINC000217521492 527381599 /nfs/dbraw/zinc/38/15/99/527381599.db2.gz AGJXDYXBYUXAQQ-SFHVURJKSA-N 0 0 354.410 1.296 50 70 FDIARN Cn1c(CO)nnc1[C@H]1CCCN(C(=O)c2cc(-c3ccsc3)n[nH]2)C1 ZINC000217161792 537451619 /nfs/dbraw/zinc/45/16/19/537451619.db2.gz VSILWERFHCNFJW-NSHDSACASA-N 0 0 372.454 1.779 50 70 FDIARN CCOCC(=O)N1CCC(C(=O)N(C)CCc2c(C)n[nH]c2C)CC1 ZINC000218758309 206372995 /nfs/dbraw/zinc/37/29/95/206372995.db2.gz IGCPHYPWIPQVFC-UHFFFAOYSA-N 0 0 350.463 1.303 50 70 FDIARN O=C(N[C@@H]1C=CS(=O)(=O)C1)C12C[C@H]3C[C@@H](C1)CC(n1cncn1)(C3)C2 ZINC000217125168 206362369 /nfs/dbraw/zinc/36/23/69/206362369.db2.gz ONDKWTMMIVWEBJ-AUPQCFOMSA-N 0 0 362.455 1.001 50 70 FDIARN COc1ccc2cc(CN3CCn4nc([C@H](C)O)cc4C3)c(=O)[nH]c2c1 ZINC000217142592 206362711 /nfs/dbraw/zinc/36/27/11/206362711.db2.gz JVJFTEPSXQIUKH-LBPRGKRZSA-N 0 0 354.410 1.802 50 70 FDIARN CNc1cc(C(=O)N[C@@H]2COCC[C@H]2Oc2ccc(C(N)=O)cc2)ccn1 ZINC000218287622 206368369 /nfs/dbraw/zinc/36/83/69/206368369.db2.gz YSHSDFMGVVSEFL-HZPDHXFCSA-N 0 0 370.409 1.189 50 70 FDIARN Cn1nc2n(c1=O)C[C@H](C(=O)N1CCCN(c3ccc(F)cc3)CC1)CC2 ZINC000218368906 206369721 /nfs/dbraw/zinc/36/97/21/206369721.db2.gz XOYYMJJRJWSQGT-CQSZACIVSA-N 0 0 373.432 1.022 50 70 FDIARN Cc1n[nH]c(C)c1[C@H](C)NC(=O)c1ccccc1N1CCC(=O)NC1=O ZINC000217381490 132272000 /nfs/dbraw/zinc/27/20/00/132272000.db2.gz PRFKBBGQFUEDEI-JTQLQIEISA-N 0 0 355.398 1.964 50 70 FDIARN Cn1cc(C(=O)N2CCN(c3ccnc4nncn43)CC2)c2ccccc21 ZINC000217868145 132272653 /nfs/dbraw/zinc/27/26/53/132272653.db2.gz VZDPROPDOXVWHZ-UHFFFAOYSA-N 0 0 361.409 1.578 50 70 FDIARN Cc1nnc([C@H]2CCCN2C(=O)CN2C(=O)COc3ccc(C)cc32)[nH]1 ZINC000218748524 132273270 /nfs/dbraw/zinc/27/32/70/132273270.db2.gz VWMCRNVZUZCAMA-CYBMUJFWSA-N 0 0 355.398 1.511 50 70 FDIARN CC(C)c1nnc(NC(=O)CC[C@@H]2NC(=O)N(Cc3ccccc3)C2=O)[nH]1 ZINC000218280791 519866048 /nfs/dbraw/zinc/86/60/48/519866048.db2.gz OARZPACWPIPOQX-ZDUSSCGKSA-N 0 0 370.413 1.767 50 70 FDIARN COCc1noc(CN2CCn3nc([C@@H](O)c4ccccc4)cc3C2)n1 ZINC000217811360 523260117 /nfs/dbraw/zinc/26/01/17/523260117.db2.gz OEUINIQHCHDZOS-SFHVURJKSA-N 0 0 355.398 1.510 50 70 FDIARN COCCCn1c(C)cc(C)c(C(=O)NCCNc2ncccn2)c1=O ZINC000218434646 523498715 /nfs/dbraw/zinc/49/87/15/523498715.db2.gz UAELWXHRTDEXHD-UHFFFAOYSA-N 0 0 359.430 1.134 50 70 FDIARN CN(Cc1cnccn1)C(=O)C1CCN(C(=O)Cc2ccccc2)CC1 ZINC000217759331 523501499 /nfs/dbraw/zinc/50/14/99/523501499.db2.gz QDHRHHOLSGGUEG-UHFFFAOYSA-N 0 0 352.438 1.916 50 70 FDIARN COc1ccc(Cn2nc(CC(N)=O)nc2[C@H](C)Cn2cccn2)cc1 ZINC000217040018 524265882 /nfs/dbraw/zinc/26/58/82/524265882.db2.gz AACLSHXBDBHOOA-CYBMUJFWSA-N 0 0 354.414 1.363 50 70 FDIARN Cc1cc(C)nc(NCC(=O)N2CCC(c3nnc4ccccn43)CC2)n1 ZINC000218420423 524587823 /nfs/dbraw/zinc/58/78/23/524587823.db2.gz DXMBPHBQFJZFTH-UHFFFAOYSA-N 0 0 365.441 1.954 50 70 FDIARN CS(=O)(=O)Nc1cccc2c1ccn2CC(=O)NCc1cccnc1 ZINC000218389665 525226342 /nfs/dbraw/zinc/22/63/42/525226342.db2.gz HXKGKQCIPMYMET-UHFFFAOYSA-N 0 0 358.423 1.724 50 70 FDIARN CSCC[C@H](NC(C)=O)C(=O)N1CCC(O)(c2cccnc2)CC1 ZINC000218257397 525592811 /nfs/dbraw/zinc/59/28/11/525592811.db2.gz UHWCAYARAKUREC-HNNXBMFYSA-N 0 0 351.472 1.149 50 70 FDIARN C[C@H](O)c1cc2n(n1)CCCN(C(=O)CN(C)Cc1ccccc1F)C2 ZINC000217948973 525851533 /nfs/dbraw/zinc/85/15/33/525851533.db2.gz NXDPHRFQIRIACX-AWEZNQCLSA-N 0 0 360.433 1.940 50 70 FDIARN C[C@@H](O)c1cc2n(n1)CCN(Cc1cc(=O)n3nc(C4CC4)sc3n1)C2 ZINC000217208326 525863551 /nfs/dbraw/zinc/86/35/51/525863551.db2.gz WINFUQVPSXPFPI-SNVBAGLBSA-N 0 0 372.454 1.294 50 70 FDIARN C[C@H](Oc1ccc2c(c1)OCO2)C(=O)N1CCN(c2cnccn2)CC1 ZINC000217963166 525940162 /nfs/dbraw/zinc/94/01/62/525940162.db2.gz IJQOIIVCCAQKCL-ZDUSSCGKSA-N 0 0 356.382 1.321 50 70 FDIARN C[C@H](Oc1ccccc1)C(=O)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 ZINC000217721802 525953626 /nfs/dbraw/zinc/95/36/26/525953626.db2.gz HTNDDOLHEQGGHW-JQFCIGGWSA-N 0 0 354.406 1.616 50 70 FDIARN O=C(CSC12CC3CC(CC(C3)C1)C2)NCCc1noc(CO)n1 ZINC000218227879 527010874 /nfs/dbraw/zinc/01/08/74/527010874.db2.gz HYXRXXPVTLRIGW-UHFFFAOYSA-N 0 0 351.472 1.923 50 70 FDIARN O=C(C[C@@H]1NC(=O)N(Cc2ccco2)C1=O)N1CCc2ccccc2C1 ZINC000218288931 527137530 /nfs/dbraw/zinc/13/75/30/527137530.db2.gz ZLYZNHLTEBBINS-INIZCTEOSA-N 0 0 353.378 1.675 50 70 FDIARN O=S(=O)(NCC[C@H](O)C1CCOCC1)c1cccc2nsnc21 ZINC000217927139 527219259 /nfs/dbraw/zinc/21/92/59/527219259.db2.gz CULWHIRYGKUDDM-LBPRGKRZSA-N 0 0 357.457 1.147 50 70 FDIARN Cc1nnc([C@@H]2CCCN(C(=O)COc3ncnc4ccccc43)C2)[nH]1 ZINC000217102804 537452565 /nfs/dbraw/zinc/45/25/65/537452565.db2.gz HZIOHCIMMCXSHF-CYBMUJFWSA-N 0 0 352.398 1.841 50 70 FDIARN O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)N[C@H]1C[C@@H]2OCC[C@H]12 ZINC000218675776 206373618 /nfs/dbraw/zinc/37/36/18/206373618.db2.gz SUSMLCRFCLKXAA-MIMYLULJSA-N 0 0 350.724 1.814 50 70 FDIARN O=C(N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)c1nnc2n1CCCCC2 ZINC000218738877 206373773 /nfs/dbraw/zinc/37/37/73/206373773.db2.gz PJUNYVDHAUWENP-CYBMUJFWSA-N 0 0 357.389 1.679 50 70 FDIARN O=C(c1nc2ccc(Cl)cn2c1F)N1CCCn2nc(CO)cc2C1 ZINC000217154804 206362949 /nfs/dbraw/zinc/36/29/49/206362949.db2.gz VWVIERRXYILPKQ-UHFFFAOYSA-N 0 0 363.780 1.862 50 70 FDIARN COC(=O)CS[C@H]1CCN(C(=O)c2cncc(Br)c2)C1 ZINC000217563074 206363695 /nfs/dbraw/zinc/36/36/95/206363695.db2.gz UFIVJEPLCKFCMV-NSHDSACASA-N 0 0 359.245 1.965 50 70 FDIARN O=C(c1ccc2c(c1)OCO2)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 ZINC000217721417 206365129 /nfs/dbraw/zinc/36/51/29/206365129.db2.gz BLTXOVGXHHLYHN-KBPBESRZSA-N 0 0 354.362 1.191 50 70 FDIARN Cc1cccc(N(CC(=O)N[C@@H](C)Cc2cccnc2)S(C)(=O)=O)c1 ZINC000217765263 206365533 /nfs/dbraw/zinc/36/55/33/206365533.db2.gz JUCZOPGUBNWMOP-HNNXBMFYSA-N 0 0 361.467 1.903 50 70 FDIARN Cc1csc(S(=O)(=O)N[C@@H]2COCC[C@H]2Oc2ccccn2)c1 ZINC000218131835 206366858 /nfs/dbraw/zinc/36/68/58/206366858.db2.gz OJJFYIVUUGPHNI-CHWSQXEVSA-N 0 0 354.453 1.966 50 70 FDIARN Cc1ccc(O[C@H]2CCOC[C@H]2NC(=O)c2cnc3cccnn32)cn1 ZINC000218024112 206367780 /nfs/dbraw/zinc/36/77/80/206367780.db2.gz FYSCTAXBXAKXMU-ZBFHGGJFSA-N 0 0 353.382 1.399 50 70 FDIARN CCOC(=O)Cc1[nH][nH]c(=O)c1[C@H](CC(N)=O)c1ccc(SC)cc1 ZINC000218321631 206368314 /nfs/dbraw/zinc/36/83/14/206368314.db2.gz WAQVIXPVGHULDH-GFCCVEGCSA-N 0 0 363.439 1.538 50 70 FDIARN COCCn1c2ccccc2nc1[C@H](C)NC(=O)c1ccn2nnnc2c1 ZINC000218400436 206369826 /nfs/dbraw/zinc/36/98/26/206369826.db2.gz XPFNAPPYXYNDDV-LBPRGKRZSA-N 0 0 365.397 1.611 50 70 FDIARN CSc1ccccc1C(=O)N1CCN(c2ccnc3nncn32)CC1 ZINC000217690679 132272229 /nfs/dbraw/zinc/27/22/29/132272229.db2.gz ODXNBDNHGNVJET-UHFFFAOYSA-N 0 0 354.439 1.809 50 70 FDIARN COC(=O)C[C@H](c1ccco1)c1oc(CN2CCOCC2)cc(=O)c1O ZINC000218284635 523339717 /nfs/dbraw/zinc/33/97/17/523339717.db2.gz FOZDCHWFOKDRMT-CYBMUJFWSA-N 0 0 363.366 1.466 50 70 FDIARN COc1ccc(CCS(=O)(=O)NCC[C@@H](O)C2CCOCC2)cc1 ZINC000217925164 523979798 /nfs/dbraw/zinc/97/97/98/523979798.db2.gz HOJICSQOMNUCMR-QGZVFWFLSA-N 0 0 357.472 1.335 50 70 FDIARN Cc1cccc(N(CC(=O)N[C@H](C)c2cnn(C)c2)S(C)(=O)=O)c1 ZINC000217193832 524523207 /nfs/dbraw/zinc/52/32/07/524523207.db2.gz NEEQJGLKFCZRMJ-CYBMUJFWSA-N 0 0 350.444 1.372 50 70 FDIARN CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)C1(c2ccccc2)CCC1 ZINC000160241596 524838773 /nfs/dbraw/zinc/83/87/73/524838773.db2.gz CYXUUNGXMYOEOM-ZBFHGGJFSA-N 0 0 350.484 1.942 50 70 FDIARN CS(=O)(=O)Nc1cccc2c1ccn2CC(=O)NCCc1ccncc1 ZINC000218285772 525226187 /nfs/dbraw/zinc/22/61/87/525226187.db2.gz ZOVGUFOZOWENSC-UHFFFAOYSA-N 0 0 372.450 1.767 50 70 FDIARN Cc1ccc(S[C@H](C)C(=O)N2CCN(c3ncc[nH]c3=O)CC2)cc1 ZINC000217440234 525667178 /nfs/dbraw/zinc/66/71/78/525667178.db2.gz RVHZTBXDBGLAQZ-CQSZACIVSA-N 0 0 358.467 1.908 50 70 FDIARN Cc1ccnn1CCC(=O)N[C@@H]1CCOC[C@H]1OCc1cscn1 ZINC000218251318 525777118 /nfs/dbraw/zinc/77/71/18/525777118.db2.gz OJIMMYKDSJPAAW-HUUCEWRRSA-N 0 0 350.444 1.529 50 70 FDIARN O=C(COc1ccc(-n2cnnn2)cc1)NCc1[nH]nc2c1CCCCC2 ZINC000218214851 526946477 /nfs/dbraw/zinc/94/64/77/526946477.db2.gz WQSGSBJDXDVSKS-UHFFFAOYSA-N 0 0 367.413 1.350 50 70 FDIARN O=C(Cn1c(=O)oc2ccccc21)NCCc1noc([C@H]2CCCO2)n1 ZINC000216911631 527355365 /nfs/dbraw/zinc/35/53/65/527355365.db2.gz ARXMKKVEXWNKSI-CYBMUJFWSA-N 0 0 358.354 1.188 50 70 FDIARN O=C(Cn1cnc2ccsc2c1=O)N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1 ZINC000218405593 527405026 /nfs/dbraw/zinc/40/50/26/527405026.db2.gz OJXDQOPOYXMBAK-BFQNTYOBSA-N 0 0 370.434 1.481 50 70 FDIARN Cc1ccccc1OC[C@H](O)C(=O)N1CCCN(Cc2cccnc2)CC1 ZINC000217080759 537452594 /nfs/dbraw/zinc/45/25/94/537452594.db2.gz POFZPDGKNSMIDI-IBGZPJMESA-N 0 0 369.465 1.864 50 70 FDIARN COCCNc1nc2cc(C(=O)NCc3cn(C)nc3C)ccc2n1C ZINC000217061175 537453135 /nfs/dbraw/zinc/45/31/35/537453135.db2.gz UIHMHNMRRCRGKH-UHFFFAOYSA-N 0 0 356.430 1.604 50 70 FDIARN CCc1nn(C)c(Cl)c1CN1CCCn2nc([C@@H](O)CO)cc2C1 ZINC000217169872 537453775 /nfs/dbraw/zinc/45/37/75/537453775.db2.gz DFKUHDWRMPOHAY-HNNXBMFYSA-N 0 0 353.854 1.264 50 70 FDIARN O=C(c1cc2ccccc2[nH]1)N1CCN(c2cc(-n3cncn3)ncn2)CC1 ZINC000218629483 537464910 /nfs/dbraw/zinc/46/49/10/537464910.db2.gz JQPONDQSXBKINA-UHFFFAOYSA-N 0 0 374.408 1.501 50 70 FDIARN O=C(N[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1cc2c([nH]c1=O)CCC2 ZINC000218061560 209664028 /nfs/dbraw/zinc/66/40/28/209664028.db2.gz QHMJUCUFYPQOJH-OAHLLOKOSA-N 0 0 351.406 1.395 50 70 FDIARN CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@@H]2c1cccc2nccnc21 ZINC000217840253 209661348 /nfs/dbraw/zinc/66/13/48/209661348.db2.gz VUDOTCNAFGBOAJ-LLVKDONJSA-N 0 0 365.345 1.936 50 70 FDIARN C[C@H](O)c1cc2n(n1)CCCN(c1ncc(F)c(N3CCOCC3)n1)C2 ZINC000217488320 132272078 /nfs/dbraw/zinc/27/20/78/132272078.db2.gz LGGKSPJWNYVEMQ-LBPRGKRZSA-N 0 0 362.409 1.112 50 70 FDIARN CCCN1C(=O)N[C@H](CC(=O)N(C)Cc2nc3cc(F)ccc3[nH]2)C1=O ZINC000217603894 521701160 /nfs/dbraw/zinc/70/11/60/521701160.db2.gz LAITZNDKCYWUJD-CYBMUJFWSA-N 0 0 361.377 1.381 50 70 FDIARN CC[C@@H](O)c1cc2n(n1)CCN(C(=O)CCc1cn3ccccc3n1)C2 ZINC000217567131 523010775 /nfs/dbraw/zinc/01/07/75/523010775.db2.gz DIVBQHRWCUESPU-QGZVFWFLSA-N 0 0 353.426 1.949 50 70 FDIARN COCCNc1nc2cc(C(=O)NCCc3c(C)n[nH]c3C)ccc2n1C ZINC000217656266 523966583 /nfs/dbraw/zinc/96/65/83/523966583.db2.gz FGQCLZAATJQBDH-UHFFFAOYSA-N 0 0 370.457 1.944 50 70 FDIARN Cc1cc(C)nc(NCC(=O)Nc2n[nH]c(Cc3ccc(F)cc3)n2)n1 ZINC000218431411 524588350 /nfs/dbraw/zinc/58/83/50/524588350.db2.gz VCWBMQMFOAGJID-UHFFFAOYSA-N 0 0 355.377 1.992 50 70 FDIARN CC(C)(C)c1ccc(C(=O)N2CCN(CCS(N)(=O)=O)CC2)s1 ZINC000159827306 524746722 /nfs/dbraw/zinc/74/67/22/524746722.db2.gz AOYRLPSERQZJJC-UHFFFAOYSA-N 0 0 359.517 1.092 50 70 FDIARN COc1cn(CC(=O)Nc2ccc(Cn3cncn3)cc2)c(C)cc1=O ZINC000218387076 524888928 /nfs/dbraw/zinc/88/89/28/524888928.db2.gz UUDZIURIASPTEU-UHFFFAOYSA-N 0 0 353.382 1.444 50 70 FDIARN C[C@H](O)c1cc2n(n1)CCN(CCC(=O)Nc1nnc(C3CC3)s1)C2 ZINC000217915584 525852745 /nfs/dbraw/zinc/85/27/45/525852745.db2.gz JEXRURSFMXWZQB-JTQLQIEISA-N 0 0 362.459 1.510 50 70 FDIARN C[C@@H](O)c1cc2n(n1)CCN(C(=O)COCc1nc3ccccc3[nH]1)C2 ZINC000216957332 525864307 /nfs/dbraw/zinc/86/43/07/525864307.db2.gz GFWSNLUGRKYAHX-GFCCVEGCSA-N 0 0 355.398 1.372 50 70 FDIARN CSc1ccc(CC(=O)N2CCN(c3ccnc4nncn43)CC2)cc1 ZINC000217874306 525982715 /nfs/dbraw/zinc/98/27/15/525982715.db2.gz DIUZPFQQSOMRKR-UHFFFAOYSA-N 0 0 368.466 1.738 50 70 FDIARN Cc1nc(=O)[nH]c(C)c1CCC(=O)N1CCCN(Cc2cccnc2)CC1 ZINC000217515471 527007923 /nfs/dbraw/zinc/00/79/23/527007923.db2.gz PTFNPHXGXLBZCG-UHFFFAOYSA-N 0 0 369.469 1.861 50 70 FDIARN Cc1nccn1CCNC(=O)c1c(C)cc(C)n(C[C@H]2CCCO2)c1=O ZINC000218477529 527430533 /nfs/dbraw/zinc/43/05/33/527430533.db2.gz MDNRGFWNQOYYAR-MRXNPFEDSA-N 0 0 358.442 1.579 50 70 FDIARN C[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1ccc(-c3nnn(C)n3)cc1)C2 ZINC000218006752 537457533 /nfs/dbraw/zinc/45/75/33/537457533.db2.gz WJLLKJGCHZGINC-GFCCVEGCSA-N 0 0 367.413 1.173 50 70 FDIARN O=C1CSC(=O)N1[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000217789804 537457905 /nfs/dbraw/zinc/45/79/05/537457905.db2.gz GXZMPJDZESDQBQ-SNVBAGLBSA-N 0 0 360.844 1.798 50 70 FDIARN Cc1cc(F)ccc1S(=O)(=O)N1CC(Oc2cc(C)n(C)c(=O)c2)C1 ZINC000217757333 537457948 /nfs/dbraw/zinc/45/79/48/537457948.db2.gz VIQVTYJBQWFKFP-UHFFFAOYSA-N 0 0 366.414 1.593 50 70 FDIARN Cn1ccnc1[C@H](O)c1cc2n(n1)CCN(C(=O)CCC(F)(F)F)C2 ZINC000218070909 537459733 /nfs/dbraw/zinc/45/97/33/537459733.db2.gz RDEFDLJWVFMENV-CYBMUJFWSA-N 0 0 357.336 1.383 50 70 FDIARN Cc1cc(=O)[nH]c(S[C@H](C)C(=O)NCc2nnc3n2CCCCC3)n1 ZINC000218640224 537464846 /nfs/dbraw/zinc/46/48/46/537464846.db2.gz PVWMRGYQHOJSBW-LLVKDONJSA-N 0 0 362.459 1.193 50 70 FDIARN COc1cc2nc(C)n(CC(=O)Nc3cc(C)n(C)n3)c(=O)c2cc1OC ZINC000218388353 209666486 /nfs/dbraw/zinc/66/64/86/209666486.db2.gz UZHVNRSQCFKKAA-UHFFFAOYSA-N 0 0 371.397 1.403 50 70 FDIARN Cn1ncnc1[C@H](NC(=O)CCn1cnc2ccccc2c1=O)C1CC1 ZINC000218270232 209665235 /nfs/dbraw/zinc/66/52/35/209665235.db2.gz LDAUTSJPTNSZLA-MRXNPFEDSA-N 0 0 352.398 1.183 50 70 FDIARN O=C(c1ccccc1N1CCC(=O)NC1=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000218181184 132272790 /nfs/dbraw/zinc/27/27/90/132272790.db2.gz AMZZBOYBKOIROY-HZPDHXFCSA-N 0 0 357.410 1.917 50 70 FDIARN CCc1nc(C)ccc1OCC(=O)NCc1nnnn1-c1ccccc1 ZINC000217962484 522240954 /nfs/dbraw/zinc/24/09/54/522240954.db2.gz YKPRAWJNUZIEOT-UHFFFAOYSA-N 0 0 352.398 1.623 50 70 FDIARN CCc1nc(C)ccc1OCC(=O)N1CCCO[C@H](Cn2cccn2)C1 ZINC000217977093 522241840 /nfs/dbraw/zinc/24/18/40/522241840.db2.gz CRFWFCIXMNGGRD-INIZCTEOSA-N 0 0 358.442 1.845 50 70 FDIARN CC(=O)N[C@H]1C[C@H](c2cc(N3CCC(Cn4cccn4)CC3)ncn2)C1 ZINC000218504254 534671594 /nfs/dbraw/zinc/67/15/94/534671594.db2.gz LTGZZJBFLIKDDO-CALCHBBNSA-N 0 0 354.458 1.972 50 70 FDIARN COC(=O)CS[C@H]1CCN(C(=O)Cn2c3ccccc3oc2=O)C1 ZINC000217556954 523247423 /nfs/dbraw/zinc/24/74/23/523247423.db2.gz AGRXGEQFBJZHIG-NSHDSACASA-N 0 0 350.396 1.102 50 70 FDIARN COc1ccc(C(=O)N[C@H]2C[C@H](c3cc(N4CC[C@@H](O)C4)ncn3)C2)o1 ZINC000218173363 523740915 /nfs/dbraw/zinc/74/09/15/523740915.db2.gz RLHIWEARUORBIT-FRRDWIJNSA-N 0 0 358.398 1.325 50 70 FDIARN Cc1ccc2oc(=O)n(CCC(=O)NCCc3nc(C)cc(=O)[nH]3)c2c1 ZINC000217992312 524087261 /nfs/dbraw/zinc/08/72/61/524087261.db2.gz QNLUNRDBCMINEY-UHFFFAOYSA-N 0 0 356.382 1.044 50 70 FDIARN COc1ccccc1N1C[C@H](C(=O)N[C@H](CO)CCSC)CC1=O ZINC000218212495 524581318 /nfs/dbraw/zinc/58/13/18/524581318.db2.gz XXDMNLOLXLYKJE-OLZOCXBDSA-N 0 0 352.456 1.278 50 70 FDIARN Cc1[nH]c2c(cccc2C(=O)N2CCn3nc([C@@H](O)CO)cc3C2)c1C ZINC000217432434 525417503 /nfs/dbraw/zinc/41/75/03/525417503.db2.gz NZAWOQQEXXCLAR-KRWDZBQOSA-N 0 0 354.410 1.663 50 70 FDIARN CSCC[C@H](NC(C)=O)C(=O)N1CCC(CCn2cccn2)CC1 ZINC000218457843 525593695 /nfs/dbraw/zinc/59/36/95/525593695.db2.gz DRINTLJPAOPODY-INIZCTEOSA-N 0 0 352.504 1.770 50 70 FDIARN Cc1ccc(C(=O)NCCC(=O)N2CCN(Cc3ccccn3)CC2)cc1 ZINC000218425242 526156573 /nfs/dbraw/zinc/15/65/73/526156573.db2.gz FWMHMPTZXCZKAM-UHFFFAOYSA-N 0 0 366.465 1.854 50 70 FDIARN O=C(CCCNC(=O)c1cnccn1)NCCc1nc2ccccc2[nH]1 ZINC000218565022 526443915 /nfs/dbraw/zinc/44/39/15/526443915.db2.gz KTWRGOBPXOQVPB-UHFFFAOYSA-N 0 0 352.398 1.222 50 70 FDIARN O=C(CCSc1nnc(-c2ccncc2)o1)N1CCc2n[nH]cc2C1 ZINC000218494527 526545939 /nfs/dbraw/zinc/54/59/39/526545939.db2.gz JDKFJCHTROOASQ-UHFFFAOYSA-N 0 0 356.411 1.922 50 70 FDIARN O=C(c1cccc(N2CCOCC2)c1)N1CCCn2nc(CO)cc2C1 ZINC000217603082 526768240 /nfs/dbraw/zinc/76/82/40/526768240.db2.gz SYOSCDDSAPQIQI-UHFFFAOYSA-N 0 0 356.426 1.258 50 70 FDIARN O=C(CN1CCOc2ccccc2C1)NCc1nnnn1-c1ccccc1 ZINC000217802563 526797357 /nfs/dbraw/zinc/79/73/57/526797357.db2.gz KFXKATKWJSYHTJ-UHFFFAOYSA-N 0 0 364.409 1.173 50 70 FDIARN Cc1nccn1CCNC(=O)c1c(C)cc(C)n(C[C@@H]2CCCO2)c1=O ZINC000218477439 527431916 /nfs/dbraw/zinc/43/19/16/527431916.db2.gz MDNRGFWNQOYYAR-INIZCTEOSA-N 0 0 358.442 1.579 50 70 FDIARN O=C(c1ccc2ncsc2c1)N1CCCn2nc([C@H](O)CO)cc2C1 ZINC000217152365 537451829 /nfs/dbraw/zinc/45/18/29/537451829.db2.gz WTHSNBLPUOVAHU-OAHLLOKOSA-N 0 0 358.423 1.565 50 70 FDIARN Cn1c(CO)nnc1C1CCN(C(=O)CCn2cnc3ccccc32)CC1 ZINC000217105142 537452832 /nfs/dbraw/zinc/45/28/32/537452832.db2.gz WOICNWOAVRXWMW-UHFFFAOYSA-N 0 0 368.441 1.453 50 70 FDIARN COc1cc2c(cc1CN1CCCn3nc(CO)cc3C1)OCCCO2 ZINC000217029867 537453202 /nfs/dbraw/zinc/45/32/02/537453202.db2.gz ZDLFMRDLPJYDSB-UHFFFAOYSA-N 0 0 359.426 1.951 50 70 FDIARN CN1CCC(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)(c2ccccc2)CC1 ZINC000217168746 537453866 /nfs/dbraw/zinc/45/38/66/537453866.db2.gz UYXUAMKGHZZHHZ-KRWDZBQOSA-N 0 0 350.484 1.343 50 70 FDIARN Cn1cccc(C(=O)NC[C@H]2CCCN2c2nc3ccccc3o2)c1=O ZINC000217638802 537455146 /nfs/dbraw/zinc/45/51/46/537455146.db2.gz TYORMCMSTDELIQ-CYBMUJFWSA-N 0 0 352.394 1.925 50 70 FDIARN CCOC(=O)Cc1[nH][nH]c(=O)c1[C@H](CC(N)=O)c1c(F)cccc1Cl ZINC000218226211 537461211 /nfs/dbraw/zinc/46/12/11/537461211.db2.gz KWQYFPBULNBWOP-MRVPVSSYSA-N 0 0 369.780 1.608 50 70 FDIARN NC(=O)c1ccc(O[C@@H]2CCOC[C@H]2NC(=O)c2sccc2N)cc1 ZINC000218302094 537461377 /nfs/dbraw/zinc/46/13/77/537461377.db2.gz KSTFWRPDHUKOBY-ZIAGYGMSSA-N 0 0 361.423 1.396 50 70 FDIARN CCOC(=O)Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1ccc2ncccc2c1 ZINC000218328487 537462985 /nfs/dbraw/zinc/46/29/85/537462985.db2.gz YFMAYKWOMMSCAU-ZDUSSCGKSA-N 0 0 368.393 1.364 50 70 FDIARN CCc1c(C)nn(CCNC(=O)[C@H](C)Sc2nc(C)cc(=O)[nH]2)c1C ZINC000218711083 537465870 /nfs/dbraw/zinc/46/58/70/537465870.db2.gz YDIPRHDBLSNCFV-ZDUSSCGKSA-N 0 0 363.487 1.751 50 70 FDIARN COc1cncc([C@@H](NC(=O)C2(Cn3ccnc3)CC2)[C@H]2C[C@@H](O)C2)c1 ZINC000218770236 537466761 /nfs/dbraw/zinc/46/67/61/537466761.db2.gz PUBJRTSNXKARPB-QRTARXTBSA-N 0 0 356.426 1.695 50 70 FDIARN Cc1cc(C(=O)N2CCCn3nc([C@@H](O)c4ccnn4C)cc3C2)c(C)o1 ZINC000218632629 209668390 /nfs/dbraw/zinc/66/83/90/209668390.db2.gz FAASMXDXLSNIKN-GOSISDBHSA-N 0 0 369.425 1.954 50 70 FDIARN CC(=O)N[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)c1cccc(CCC(C)(C)O)c1 ZINC000218484148 209667215 /nfs/dbraw/zinc/66/72/15/209667215.db2.gz CSSHYBOIVGEILS-XMTFNYHQSA-N 0 0 360.454 1.412 50 70 FDIARN CCO[C@@H]1COCC[C@H]1NC(=O)Cc1cc2c(cc1Cl)OCCO2 ZINC000218306085 209665170 /nfs/dbraw/zinc/66/51/70/209665170.db2.gz QJDQTVZEAAIVSR-CZUORRHYSA-N 0 0 355.818 1.964 50 70 FDIARN O=C(c1cnc2ccccc2n1)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 ZINC000217722689 209661499 /nfs/dbraw/zinc/66/14/99/209661499.db2.gz OUSVEQBIOGFUFT-KBPBESRZSA-N 0 0 362.389 1.405 50 70 FDIARN CC[C@H](Sc1nc2ccccc2o1)C(=O)NCCc1noc(CO)n1 ZINC000218462319 522925210 /nfs/dbraw/zinc/92/52/10/522925210.db2.gz AZAFQNHNBITFPN-LBPRGKRZSA-N 0 0 362.411 1.933 50 70 FDIARN CCc1ccc(C(=O)N[C@H]2C[C@H](c3cc(N4CC[C@@H](O)C4)ncn3)C2)[nH]1 ZINC000218352383 523894988 /nfs/dbraw/zinc/89/49/88/523894988.db2.gz QUWOTNXZJYLONE-VHDGCEQUSA-N 0 0 355.442 1.614 50 70 FDIARN COc1ccc(CN2C(=O)N[C@@H](CC(=O)N3CCCC3)C2=O)cc1OC ZINC000217641501 524020277 /nfs/dbraw/zinc/02/02/77/524020277.db2.gz MEAKFEYYRFZRQB-ZDUSSCGKSA-N 0 0 361.398 1.137 50 70 FDIARN COc1ccccc1CCNC(=O)CN1CCn2nc([C@H](C)O)cc2C1 ZINC000217441626 524412195 /nfs/dbraw/zinc/41/21/95/524412195.db2.gz WEAMYPXNTXMGJC-AWEZNQCLSA-N 0 0 358.442 1.120 50 70 FDIARN CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)C1(c2ccccc2)CCC1 ZINC000160241434 524838637 /nfs/dbraw/zinc/83/86/37/524838637.db2.gz CYXUUNGXMYOEOM-GDBMZVCRSA-N 0 0 350.484 1.942 50 70 FDIARN CCc1nc2n(n1)C[C@@H](NC(=O)c1cnn(-c3ccc(F)cc3)n1)CC2 ZINC000160699165 524950748 /nfs/dbraw/zinc/95/07/48/524950748.db2.gz ISKCTOWIHMQCIV-LBPRGKRZSA-N 0 0 355.377 1.305 50 70 FDIARN Cn1cnc(-c2ccc(NC(=O)N3CC[C@H](N4CCOCC4)C3)cc2)n1 ZINC000160918781 524996335 /nfs/dbraw/zinc/99/63/35/524996335.db2.gz MCSUDENBDYTDKP-INIZCTEOSA-N 0 0 356.430 1.421 50 70 FDIARN C[C@@H](Oc1ccccc1)C(=O)N1CC(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)C1 ZINC000217721714 525947740 /nfs/dbraw/zinc/94/77/40/525947740.db2.gz HTNDDOLHEQGGHW-XYPHTWIQSA-N 0 0 354.406 1.616 50 70 FDIARN O=C(NCCc1noc([C@H]2CCCO2)n1)c1scc2c1OCCO2 ZINC000217756694 526465853 /nfs/dbraw/zinc/46/58/53/526465853.db2.gz OXNWRORIAGHAIL-SECBINFHSA-N 0 0 351.384 1.726 50 70 FDIARN O=C(CN1CCOc2ccccc2C1)NCCc1noc(C(F)(F)F)n1 ZINC000217637948 526796582 /nfs/dbraw/zinc/79/65/82/526796582.db2.gz GENDDUHFFBLRFN-UHFFFAOYSA-N 0 0 370.331 1.642 50 70 FDIARN Cc1nc2ncccn2c1C(=O)N[C@@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1 ZINC000217998752 527202267 /nfs/dbraw/zinc/20/22/67/527202267.db2.gz MRAVCEMDHLVSKP-BPUTZDHNSA-N 0 0 351.410 1.545 50 70 FDIARN O=C(Cn1cccn1)Nc1ccccc1Cc1nc(-c2cnccn2)no1 ZINC000217489447 527390227 /nfs/dbraw/zinc/39/02/27/527390227.db2.gz BJUCUNXULDHBNM-UHFFFAOYSA-N 0 0 361.365 1.953 50 70 FDIARN Cc1ncn(CCNC(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)c1C ZINC000218049523 527462134 /nfs/dbraw/zinc/46/21/34/527462134.db2.gz XXCMJZGARBVEFS-LJQANCHMSA-N 0 0 356.470 1.907 50 70 FDIARN CN(CCc1noc(C(F)(F)F)n1)C(=O)Cn1c(=O)oc2ccccc21 ZINC000217114063 537452854 /nfs/dbraw/zinc/45/28/54/537452854.db2.gz YLCAKBMHRWFCSX-UHFFFAOYSA-N 0 0 370.287 1.697 50 70 FDIARN COCCNc1nc2cc(C(=O)N3CCc4n[nH]cc4C3)ccc2n1C ZINC000217174513 537454464 /nfs/dbraw/zinc/45/44/64/537454464.db2.gz WLDQTOQAQSWFQW-UHFFFAOYSA-N 0 0 354.414 1.553 50 70 FDIARN COc1ccc([C@H](CC(N)=O)c2oc(C)cc(=O)c2O)c(OC)c1OC ZINC000217701981 537455609 /nfs/dbraw/zinc/45/56/09/537455609.db2.gz DWMYDORCKFHIRJ-NSHDSACASA-N 0 0 363.366 1.687 50 70 FDIARN Cc1c(CN2CCn3nc([C@@H](C)O)cc3C2)c(=O)n(-c2ccccc2)n1C ZINC000218686771 537465106 /nfs/dbraw/zinc/46/51/06/537465106.db2.gz MYPKDOKVXZTCCE-OAHLLOKOSA-N 0 0 367.453 1.750 50 70 FDIARN Cc1nc([C@H]2CCCN(C(=O)Cn3cnc4ccccc4c3=O)C2)no1 ZINC000217397872 568181662 /nfs/dbraw/zinc/18/16/62/568181662.db2.gz KCDGTUFXZCLXCK-ZDUSSCGKSA-N 0 0 353.382 1.494 50 70 FDIARN C[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1ccc3[nH]c(CO)nc3c1)C2 ZINC000217721792 209660419 /nfs/dbraw/zinc/66/04/19/209660419.db2.gz IBAZTOHTLFQURQ-LLVKDONJSA-N 0 0 355.398 1.351 50 70 FDIARN CCc1nccn1CCCNC(=O)C1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000218440342 522584890 /nfs/dbraw/zinc/58/48/90/522584890.db2.gz IXNTXRYONPDBPB-INIZCTEOSA-N 0 0 362.474 1.369 50 70 FDIARN COc1ccc(C(=O)N[C@@H]2CCOC[C@H]2OCc2c(C)noc2C)o1 ZINC000218140664 523726413 /nfs/dbraw/zinc/72/64/13/523726413.db2.gz CXHNGHFEHXVZDK-UKRRQHHQSA-N 0 0 350.371 1.997 50 70 FDIARN CCn1nccc1S(=O)(=O)N[C@@H]1CCOC[C@H]1OCc1ccccc1 ZINC000218325167 523745009 /nfs/dbraw/zinc/74/50/09/523745009.db2.gz NMYDKXZMENCYSV-HZPDHXFCSA-N 0 0 365.455 1.556 50 70 FDIARN Cc1cccc(CCN2CCn3nc([C@H](O)c4nccn4C)cc3C2)n1 ZINC000218454461 524353717 /nfs/dbraw/zinc/35/37/17/524353717.db2.gz WHQVLKUUUGHEON-SFHVURJKSA-N 0 0 352.442 1.460 50 70 FDIARN Cc1noc(C)c1C[C@H](C)NS(=O)(=O)c1cccc2c1OCCO2 ZINC000159886438 524760899 /nfs/dbraw/zinc/76/08/99/524760899.db2.gz AIFPFTISIZYUJW-JTQLQIEISA-N 0 0 352.412 1.972 50 70 FDIARN Cc1noc(C)c1C[C@@H](C)NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000159905235 524764488 /nfs/dbraw/zinc/76/44/88/524764488.db2.gz RFJVNIFVONSFTA-MRVPVSSYSA-N 0 0 350.400 1.371 50 70 FDIARN CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)C1(c2ccccc2)CCC1 ZINC000160241891 524838047 /nfs/dbraw/zinc/83/80/47/524838047.db2.gz CYXUUNGXMYOEOM-HOCLYGCPSA-N 0 0 350.484 1.942 50 70 FDIARN Cc1ccccc1OC[C@@H](O)C(=O)NCCc1noc(C(F)(F)F)n1 ZINC000217178505 525308673 /nfs/dbraw/zinc/30/86/73/525308673.db2.gz GVPJKNVBLUAGET-SNVBAGLBSA-N 0 0 359.304 1.495 50 70 FDIARN COc1cccc(C(=O)N2CCC(C(=O)N3CCc4n[nH]cc4C3)CC2)c1 ZINC000217904261 525794952 /nfs/dbraw/zinc/79/49/52/525794952.db2.gz HVNBHWTZJQMJRU-UHFFFAOYSA-N 0 0 368.437 1.855 50 70 FDIARN Cc1cc(C(=O)N2CCC[C@H](Cc3nc(-c4cnccn4)no3)C2)no1 ZINC000217843518 526249558 /nfs/dbraw/zinc/24/95/58/526249558.db2.gz SAYWMRWMOKXXSQ-GFCCVEGCSA-N 0 0 354.370 1.918 50 70 FDIARN O=C(NC[C@@H](c1cccnc1)N1CCOCC1)c1[nH]nc2ccccc21 ZINC000216912169 526492005 /nfs/dbraw/zinc/49/20/05/526492005.db2.gz YERLEEJEGVGXMD-KRWDZBQOSA-N 0 0 351.410 1.761 50 70 FDIARN O=C(CN1CCCCC1=O)N[C@@H](c1ccc2c(c1)CCO2)C1CC(O)C1 ZINC000218297705 526739191 /nfs/dbraw/zinc/73/91/91/526739191.db2.gz BAGKUAPBKGVMOR-PMTKGXAQSA-N 0 0 358.438 1.562 50 70 FDIARN O=C(COc1ccc(F)cc1)N1CC(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)C1 ZINC000217722299 526956952 /nfs/dbraw/zinc/95/69/52/526956952.db2.gz MGIBUYODHRLXBR-IYBDPMFKSA-N 0 0 358.369 1.367 50 70 FDIARN CC[C@@H](NC(=O)Cn1cc(C)c(=O)[nH]c1=O)c1nc2cc(C)ccc2[nH]1 ZINC000217149026 537452922 /nfs/dbraw/zinc/45/29/22/537452922.db2.gz GVUCKTTVARJEKC-GFCCVEGCSA-N 0 0 355.398 1.297 50 70 FDIARN Cn1cc(S(=O)(=O)NC[C@](C)(O)c2cc3ccccc3s2)cn1 ZINC000217515573 537455296 /nfs/dbraw/zinc/45/52/96/537455296.db2.gz FAPFKULYVQMYKH-HNNXBMFYSA-N 0 0 351.453 1.821 50 70 FDIARN C[C@H](O)c1cc2n(n1)CCCN(Cc1cc(=O)n3cccc(O)c3n1)C2 ZINC000217757245 537456975 /nfs/dbraw/zinc/45/69/75/537456975.db2.gz SOEONZGBOOGKBZ-LBPRGKRZSA-N 0 0 355.398 1.056 50 70 FDIARN O=C(c1cc(-n2cccn2)ccc1Cl)N1CCn2nc(CO)cc2C1 ZINC000218510366 537462924 /nfs/dbraw/zinc/46/29/24/537462924.db2.gz NINGDQNNNMYEQZ-UHFFFAOYSA-N 0 0 357.801 1.871 50 70 FDIARN O=C(N[C@@H]1COCC[C@H]1Oc1ccc(CO)cc1)c1n[nH]c2c1CCC2 ZINC000218321133 537463187 /nfs/dbraw/zinc/46/31/87/537463187.db2.gz PUWLCIGIQFQSBC-IAGOWNOFSA-N 0 0 357.410 1.357 50 70 FDIARN Cn1c2ccc(CNC(=O)[C@H]3CCc4ccccc4O3)cc2n(C)c1=O ZINC000218520148 537463688 /nfs/dbraw/zinc/46/36/88/537463688.db2.gz XNWRXEIFSSSTAT-GOSISDBHSA-N 0 0 351.406 1.887 50 70 FDIARN COC[C@@H]1[C@H](NC(=O)c2cc(-c3ccccc3OC)n[nH]2)[C@@H]2CCO[C@H]12 ZINC000218774053 537467204 /nfs/dbraw/zinc/46/72/04/537467204.db2.gz HMCXRYRYRPSGHN-DECQCQTCSA-N 0 0 357.410 1.865 50 70 FDIARN Cn1cc(CC(=O)N2CCN(c3ncc[nH]c3=O)CC2)c2ccccc21 ZINC000217809326 132272338 /nfs/dbraw/zinc/27/23/38/132272338.db2.gz FSVGGAINIGXCJW-UHFFFAOYSA-N 0 0 351.410 1.153 50 70 FDIARN CC(C)(C)c1cc(C(=O)N2CCCN(Cc3cccnc3)CC2)[nH]c(=O)n1 ZINC000217002237 518993025 /nfs/dbraw/zinc/99/30/25/518993025.db2.gz UPIBKBWWQSCOLX-UHFFFAOYSA-N 0 0 369.469 1.811 50 70 FDIARN CC(C)Cc1cc(C(=O)NCc2ccc(-n3cncn3)cc2)nc(N)n1 ZINC000217018875 519428473 /nfs/dbraw/zinc/42/84/73/519428473.db2.gz UGEIUZKLKNAGLP-UHFFFAOYSA-N 0 0 351.414 1.768 50 70 FDIARN CC(=O)OC(C)(C)C(=O)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1 ZINC000217847361 519754052 /nfs/dbraw/zinc/75/40/52/519754052.db2.gz JJRWXNHPACBKLM-ZDUSSCGKSA-N 0 0 373.413 1.649 50 70 FDIARN CN(C)S(=O)(=O)c1ccc(C(=O)NCC[C@@H](O)c2cccn2C)cc1 ZINC000217937251 521976587 /nfs/dbraw/zinc/97/65/87/521976587.db2.gz VGLHQZQMDRHFTD-MRXNPFEDSA-N 0 0 365.455 1.129 50 70 FDIARN CC[C@@H](C)[C@@H](CO)NC(=O)CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O ZINC000217789845 522301374 /nfs/dbraw/zinc/30/13/74/522301374.db2.gz OLWTUXUGROFADF-KWCYVHTRSA-N 0 0 351.403 1.003 50 70 FDIARN COCc1noc(CN2CCn3nc([C@H](O)c4ccccc4)cc3C2)n1 ZINC000217811443 523262297 /nfs/dbraw/zinc/26/22/97/523262297.db2.gz OEUINIQHCHDZOS-GOSISDBHSA-N 0 0 355.398 1.510 50 70 FDIARN CC[C@]1(O)C(=O)N(c2cccc(C(=O)N[C@H](C)c3ncnn3C)c2)N=C1C ZINC000218045542 523621281 /nfs/dbraw/zinc/62/12/81/523621281.db2.gz BQWUKZPSUQCHFJ-ADLMAVQZSA-N 0 0 370.413 1.170 50 70 FDIARN CCc1ccc(S(=O)(=O)N[C@@H](c2cnn(C)c2)C2CC(O)C2)s1 ZINC000218551063 524015249 /nfs/dbraw/zinc/01/52/49/524015249.db2.gz JMCCPZMVEXBJLV-MBRGGSNBSA-N 0 0 355.485 1.835 50 70 FDIARN C[C@H](Cn1cncn1)NC(=O)c1cnc(SCc2ccccc2)[nH]c1=O ZINC000218391007 524802017 /nfs/dbraw/zinc/80/20/17/524802017.db2.gz SXDGBHDIAJAMLQ-GFCCVEGCSA-N 0 0 370.438 1.885 50 70 FDIARN O=C(NCc1cc2ccccc2[nH]1)[C@@H]1Cc2ccccc2S(=O)(=O)N1 ZINC000217746600 537458129 /nfs/dbraw/zinc/45/81/29/537458129.db2.gz SPKAVQKSESKXSU-INIZCTEOSA-N 0 0 355.419 1.687 50 70 FDIARN CC(C)c1nnc(N2CCn3nc([C@@H](O)c4nccn4C)cc3C2)s1 ZINC000218084813 537458854 /nfs/dbraw/zinc/45/88/54/537458854.db2.gz KJQDWBUNBMESOL-CYBMUJFWSA-N 0 0 359.459 1.693 50 70 FDIARN Cc1nc(=O)[nH]c(C)c1CCC(=O)N1Cc2ccccc2C[C@@H]1C(N)=O ZINC000218347724 537463030 /nfs/dbraw/zinc/46/30/30/537463030.db2.gz BLWXWBVNICJEKZ-MRXNPFEDSA-N 0 0 354.410 1.170 50 70 FDIARN CCCOc1ccc(C(=O)N[C@@H]2COCC[C@@H]2OCC(N)=O)cc1Cl ZINC000218701527 537465192 /nfs/dbraw/zinc/46/51/92/537465192.db2.gz XTEBVOSFBAEATP-HIFRSBDPSA-N 0 0 370.833 1.518 50 70 FDIARN O=C(CCNC(=O)c1cnccn1)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000218615021 537465351 /nfs/dbraw/zinc/46/53/51/537465351.db2.gz RAHAAARGLGRDOU-INIZCTEOSA-N 0 0 364.409 1.837 50 70 FDIARN Cc1c(CN2CCn3nc([C@H](C)O)cc3C2)c(=O)n(-c2ccccc2)n1C ZINC000218686856 537465899 /nfs/dbraw/zinc/46/58/99/537465899.db2.gz MYPKDOKVXZTCCE-HNNXBMFYSA-N 0 0 367.453 1.750 50 70 FDIARN CN(C)C(=O)c1ccc(CNC(=O)c2cc(=O)[nH]c3ccc(F)cc32)o1 ZINC000218694676 537466057 /nfs/dbraw/zinc/46/60/57/537466057.db2.gz YJTCRXQOXJZVCM-UHFFFAOYSA-N 0 0 357.341 1.892 50 70 FDIARN COc1ccnc(N2CCN(C(=O)c3scc4c3OCCO4)CC2)n1 ZINC000217340871 132272065 /nfs/dbraw/zinc/27/20/65/132272065.db2.gz OCNUNUKKAUXPRC-UHFFFAOYSA-N 0 0 362.411 1.280 50 70 FDIARN CC(C)c1ccc(N2C(=O)N[C@@H](CC(=O)N3CCN(C)CC3)C2=O)cc1 ZINC000218456397 519836826 /nfs/dbraw/zinc/83/68/26/519836826.db2.gz YMONKWZLNNRELG-INIZCTEOSA-N 0 0 358.442 1.399 50 70 FDIARN Cc1n[nH]c(C)c1CCNC(=O)CN(c1ccc(C)cc1)S(C)(=O)=O ZINC000217463130 526494424 /nfs/dbraw/zinc/49/44/24/526494424.db2.gz QTGQHQHZWXLBQS-UHFFFAOYSA-N 0 0 364.471 1.460 50 70 FDIARN O=C(CCS(=O)(=O)c1ccccc1)NCCSC1CCOCC1 ZINC000217702497 526538724 /nfs/dbraw/zinc/53/87/24/526538724.db2.gz WRZBMVHWPWGOQZ-UHFFFAOYSA-N 0 0 357.497 1.879 50 70 FDIARN O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1n[nH]c(-c2ccco2)n1 ZINC000217927546 537456787 /nfs/dbraw/zinc/45/67/87/537456787.db2.gz OQSXGAPHLNHTRL-NSHDSACASA-N 0 0 366.337 1.144 50 70 FDIARN O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)Nc1nc[nH]n1 ZINC000218211392 537461022 /nfs/dbraw/zinc/46/10/22/537461022.db2.gz ATNLOYYEPKKMCH-MRXNPFEDSA-N 0 0 374.360 1.558 50 70 FDIARN Cn1nc2n(c1=O)C[C@H](C(=O)NCC1(c3ccc(F)cc3)CCCC1)CC2 ZINC000218297015 537461396 /nfs/dbraw/zinc/46/13/96/537461396.db2.gz CMGYXXGRQGXKRN-CQSZACIVSA-N 0 0 372.444 1.912 50 70 FDIARN CN(C)C(=O)CO[C@H]1CCOC[C@H]1NC(=O)Cc1ccc(F)cc1Cl ZINC000218462643 537462946 /nfs/dbraw/zinc/46/29/46/537462946.db2.gz FVZSRTAMYMAYJJ-CABCVRRESA-N 0 0 372.824 1.400 50 70 FDIARN Cc1cc(=O)[nH]c(S[C@@H](C)C(=O)NCc2nnc3n2CCCCC3)n1 ZINC000218640167 537464810 /nfs/dbraw/zinc/46/48/10/537464810.db2.gz PVWMRGYQHOJSBW-NSHDSACASA-N 0 0 362.459 1.193 50 70 FDIARN O=C(c1ccccc1N1CCOCC1)N1CCCn2nc(CO)cc2C1 ZINC000217027207 132272048 /nfs/dbraw/zinc/27/20/48/132272048.db2.gz LDOVLCKXEOIBON-UHFFFAOYSA-N 0 0 356.426 1.258 50 70 FDIARN Cc1ncccc1Oc1ncnc(N2CCn3nc(CO)cc3C2)c1C ZINC000217518174 132272090 /nfs/dbraw/zinc/27/20/90/132272090.db2.gz FZMQFBRZTLZWCS-UHFFFAOYSA-N 0 0 352.398 1.990 50 70 FDIARN CCc1nc(C)ccc1OCC(=O)N1CCCO[C@@H](Cn2cccn2)C1 ZINC000217977011 522241371 /nfs/dbraw/zinc/24/13/71/522241371.db2.gz CRFWFCIXMNGGRD-MRXNPFEDSA-N 0 0 358.442 1.845 50 70 FDIARN COC(=O)C[C@H](CC(C)C)c1oc(CN2CCOCC2)cc(=O)c1O ZINC000217773373 523331952 /nfs/dbraw/zinc/33/19/52/523331952.db2.gz GOTZJHJGFFQCLV-ZDUSSCGKSA-N 0 0 353.415 1.870 50 70 FDIARN COc1ccc(CN2CCn3nc(CO)cc3C2)cc1Cn1cncn1 ZINC000217707578 524039402 /nfs/dbraw/zinc/03/94/02/524039402.db2.gz CERICRJLQCBQKG-UHFFFAOYSA-N 0 0 354.414 1.040 50 70 FDIARN COc1ccc(N2C(=O)N[C@@H](CC(=O)NCC3CCOCC3)C2=O)cc1 ZINC000218565097 524394463 /nfs/dbraw/zinc/39/44/63/524394463.db2.gz YPMRFZFRMNFFEH-HNNXBMFYSA-N 0 0 361.398 1.053 50 70 FDIARN Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1ccc(OCc2nccn2C)cc1 ZINC000218324279 525399529 /nfs/dbraw/zinc/39/95/29/525399529.db2.gz YXTUBWFPQROJTI-AWEZNQCLSA-N 0 0 355.398 1.331 50 70 FDIARN O=C(CCN1C(=O)c2cccnc2C1=O)NCCc1nc2ccccc2[nH]1 ZINC000218466087 526482050 /nfs/dbraw/zinc/48/20/50/526482050.db2.gz NGIIUYYWMATOOA-UHFFFAOYSA-N 0 0 363.377 1.303 50 70 FDIARN O=C(CCN1CCCCCC1=O)N[C@@H]1CCOC[C@H]1Oc1ccccn1 ZINC000218571985 526484264 /nfs/dbraw/zinc/48/42/64/526484264.db2.gz BFIDBZQOFPNSKN-HZPDHXFCSA-N 0 0 361.442 1.527 50 70 FDIARN Cc1n[nH]c(C)c1[C@H](N)C(=O)NCc1nncn1CCc1ccccc1 ZINC000218555549 526521509 /nfs/dbraw/zinc/52/15/09/526521509.db2.gz FHSQYJZZBYMQHG-KRWDZBQOSA-N 0 0 353.430 1.177 50 70 FDIARN Cc1noc(C)c1S(=O)(=O)N[C@H](Cc1ccncc1)C1CC(O)C1 ZINC000217997478 526554680 /nfs/dbraw/zinc/55/46/80/526554680.db2.gz ZJUPUMXJOOQTQX-YMAMQOFZSA-N 0 0 351.428 1.347 50 70 FDIARN O=C(NC[C@H](c1cccnc1)N1CCOCC1)c1[nH]nc2ccccc21 ZINC000216912197 526580421 /nfs/dbraw/zinc/58/04/21/526580421.db2.gz YERLEEJEGVGXMD-QGZVFWFLSA-N 0 0 351.410 1.761 50 70 FDIARN O=C(C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)N[C@H](CO)c1ccccc1 ZINC000217695463 527137707 /nfs/dbraw/zinc/13/77/07/527137707.db2.gz XTSIAVIQNLGYLU-DLBZAZTESA-N 0 0 367.405 1.347 50 70 FDIARN O=C(Cc1cccs1)N[C@H]1C[C@@H](c2cc(N3CC[C@H](O)C3)ncn2)C1 ZINC000218113834 527302449 /nfs/dbraw/zinc/30/24/49/527302449.db2.gz BEHSRTDTZOQVQN-IHRRRGAJSA-N 0 0 358.467 1.714 50 70 FDIARN Cn1ccnc1CN1CCN(C(=O)CCNC(=O)c2ccccc2F)CC1 ZINC000217369543 527431195 /nfs/dbraw/zinc/43/11/95/527431195.db2.gz DUQZGLGJZIMICB-UHFFFAOYSA-N 0 0 373.432 1.024 50 70 FDIARN Cn1nccc1CCC(=O)N[C@@H]1COCC[C@H]1Oc1ccc(CO)cc1 ZINC000218581710 527602594 /nfs/dbraw/zinc/60/25/94/527602594.db2.gz CWCXSLOZKQJALG-QZTJIDSGSA-N 0 0 359.426 1.198 50 70 FDIARN Cn1c(=O)[nH]cc(CC(=O)N2CCC(c3nc4ccccc4o3)CC2)c1=O ZINC000217152590 537451775 /nfs/dbraw/zinc/45/17/75/537451775.db2.gz BMSGATSCEFMBHQ-UHFFFAOYSA-N 0 0 368.393 1.164 50 70 FDIARN Cc1cc(=O)c2ccccc2n1CC(=O)N1CCn2nc(CO)cc2C1 ZINC000217706358 537456181 /nfs/dbraw/zinc/45/61/81/537456181.db2.gz VVERZHGECXVTJG-UHFFFAOYSA-N 0 0 352.394 1.041 50 70 FDIARN Cc1n[nH]c(CCC(=O)N[C@@H]2COCC[C@@H]2OCc2ccccn2)c1C ZINC000218675870 537465524 /nfs/dbraw/zinc/46/55/24/537465524.db2.gz MSSDAGMAKOYORA-MSOLQXFVSA-N 0 0 358.442 1.845 50 70 FDIARN Cn1cc([C@@H](NC(=O)CCc2cn3ccccc3n2)[C@H]2C[C@H](O)C2)cn1 ZINC000218761349 537466791 /nfs/dbraw/zinc/46/67/91/537466791.db2.gz OXEPQKCTOGKFKQ-CRFBAAHOSA-N 0 0 353.426 1.629 50 70 FDIARN NC(=O)c1ccc(O[C@@H]2CCOC[C@H]2NC(=O)c2cc(Cl)c[nH]2)cc1 ZINC000218736541 568248895 /nfs/dbraw/zinc/24/88/95/568248895.db2.gz BIQPODIAKURIJZ-HUUCEWRRSA-N 0 0 363.801 1.733 50 70 FDIARN CN1C[C@@]2(CCN(C(=O)Cc3cc4c(cc3Cl)OCCO4)C2)OC1=O ZINC000218506957 209666545 /nfs/dbraw/zinc/66/65/45/209666545.db2.gz AEIRRYDAVLXSAI-QGZVFWFLSA-N 0 0 366.801 1.707 50 70 FDIARN CCOC(=O)Cc1[nH][nH]c(=O)c1[C@H](CC(N)=O)c1ccc(F)c(F)c1 ZINC000218279945 520904761 /nfs/dbraw/zinc/90/47/61/520904761.db2.gz SAQSFDKXBFFXHB-SECBINFHSA-N 0 0 353.325 1.094 50 70 FDIARN CCCc1ccc(CN2CCn3nc([C@H](O)CS(C)(=O)=O)cc3C2)o1 ZINC000218558802 521396277 /nfs/dbraw/zinc/39/62/77/521396277.db2.gz UQLLXUMQWWKDKU-QGZVFWFLSA-N 0 0 367.471 1.522 50 70 FDIARN CN(Cc1cccnc1)C(=O)c1ccc(CN2CCS(=O)(=O)CC2)cc1 ZINC000218311657 523415456 /nfs/dbraw/zinc/41/54/56/523415456.db2.gz OXHJOWQVAPSLMF-UHFFFAOYSA-N 0 0 373.478 1.584 50 70 FDIARN Cc1cccc(=O)n1CCCNC(=O)Cn1ccc(=O)c2ccccc21 ZINC000218119974 524155026 /nfs/dbraw/zinc/15/50/26/524155026.db2.gz YBSCZQDTJWPRKX-UHFFFAOYSA-N 0 0 351.406 1.678 50 70 FDIARN COc1ccc(OC)c(-c2cc(C(=O)N[C@H](CO)CCSC)[nH]n2)c1 ZINC000218234534 524792301 /nfs/dbraw/zinc/79/23/01/524792301.db2.gz PJVMPCVMYHQYBE-NSHDSACASA-N 0 0 365.455 1.938 50 70 FDIARN Cc1nc(=O)[nH]c(C)c1CCC(=O)NCCCc1nnc2ccccn21 ZINC000218028993 527007396 /nfs/dbraw/zinc/00/73/96/527007396.db2.gz QEDNIEMHAMZFHQ-UHFFFAOYSA-N 0 0 354.414 1.523 50 70 FDIARN Cc1nnc([C@H](C)NC(=O)C2CCN(C(=O)Cc3ccccc3)CC2)[nH]1 ZINC000217452675 527059832 /nfs/dbraw/zinc/05/98/32/527059832.db2.gz YUVDQBVZRCYKCF-ZDUSSCGKSA-N 0 0 355.442 1.772 50 70 FDIARN O=C(C[C@@H]1NC(=O)N(Cc2ccccc2Cl)C1=O)NCc1ccncc1 ZINC000218389767 527137431 /nfs/dbraw/zinc/13/74/31/527137431.db2.gz JYEXJXIXQHMGMV-HNNXBMFYSA-N 0 0 372.812 1.862 50 70 FDIARN OC1CCN(c2ccnc(N[C@@H](c3ccccn3)[C@H]3C[C@H](O)C3)n2)CC1 ZINC000218046723 527515590 /nfs/dbraw/zinc/51/55/90/527515590.db2.gz JQOSBLDEFITSAB-QIIPPGSGSA-N 0 0 355.442 1.757 50 70 FDIARN COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1cccn(C)c1=O ZINC000217877637 537457190 /nfs/dbraw/zinc/45/71/90/537457190.db2.gz MSYVTVAXYXURHA-SWLSCSKDSA-N 0 0 374.368 1.360 50 70 FDIARN Cc1c(F)cccc1CN1CCn2nc([C@H](O)CC(=O)N(C)C)cc2C1 ZINC000218300346 537461492 /nfs/dbraw/zinc/46/14/92/537461492.db2.gz BOHLOVPGZYVPHM-GOSISDBHSA-N 0 0 360.433 1.858 50 70 FDIARN CCn1nc(C)cc1C(=O)N[C@@H]1CCOC[C@H]1Oc1ccc(C(N)=O)cc1 ZINC000218162806 537461830 /nfs/dbraw/zinc/46/18/30/537461830.db2.gz FCEUKIFARVHIFQ-NVXWUHKLSA-N 0 0 372.425 1.277 50 70 FDIARN O=C(CN1CCCCCC1=O)N[C@@H](c1ccc2c(c1)CCO2)C1CC(O)C1 ZINC000218592794 537463248 /nfs/dbraw/zinc/46/32/48/537463248.db2.gz PDUDFFHNICUQAF-BPZDKFOGSA-N 0 0 372.465 1.952 50 70 FDIARN Cn1cc([C@H](NS(=O)(=O)c2ccc(Cl)s2)C2CC(O)C2)cn1 ZINC000218482932 537463780 /nfs/dbraw/zinc/46/37/80/537463780.db2.gz ABPDZLZKNKLFEF-QDPIBXHXSA-N 0 0 361.876 1.926 50 70 FDIARN O=C(NCCS(=O)(=O)c1ccc(F)cc1)c1c[nH]c(=O)c2ccccc12 ZINC000218472402 537464273 /nfs/dbraw/zinc/46/42/73/537464273.db2.gz WHVRDFLNZLTHKM-UHFFFAOYSA-N 0 0 374.393 1.871 50 70 FDIARN O=C1CCc2cc(S(=O)(=O)N3CCc4oncc4C3)cc3c2N1CC3 ZINC000217695445 222673898 /nfs/dbraw/zinc/67/38/98/222673898.db2.gz SGFMBJUCEKAXIQ-UHFFFAOYSA-N 0 0 359.407 1.257 50 70 FDIARN C[C@@H](O)c1cc2n(n1)CCN(c1cc(C(=O)N3CCCCC3)ccn1)C2 ZINC000217095363 132272077 /nfs/dbraw/zinc/27/20/77/132272077.db2.gz WHWQBIJOADNHKF-CQSZACIVSA-N 0 0 355.442 1.978 50 70 FDIARN O=C(c1ccc(-c2ccco2)cc1)N1CCN(c2ncc[nH]c2=O)CC1 ZINC000217431487 132272111 /nfs/dbraw/zinc/27/21/11/132272111.db2.gz UXNLZZBTBUALPS-UHFFFAOYSA-N 0 0 350.378 1.992 50 70 FDIARN Cc1nc2cc(C(=O)N3CCCn4nc([C@@H](O)CO)cc4C3)ccc2s1 ZINC000216988582 263458118 /nfs/dbraw/zinc/45/81/18/263458118.db2.gz VNACTAWLPXELFC-INIZCTEOSA-N 0 0 372.450 1.873 50 70 FDIARN CN(Cc1nccs1)C(=O)c1ccc2c(c1)nc(N1CC[C@H](O)C1)n2C ZINC000217528511 523601274 /nfs/dbraw/zinc/60/12/74/523601274.db2.gz KNBYHZPLYMNBMZ-ZDUSSCGKSA-N 0 0 371.466 1.873 50 70 FDIARN Cc1cccc(N(CC(=O)N[C@@H](C)Cn2cccn2)S(C)(=O)=O)c1 ZINC000218579415 524522985 /nfs/dbraw/zinc/52/29/85/524522985.db2.gz LINNKZOYDZEWRR-AWEZNQCLSA-N 0 0 350.444 1.162 50 70 FDIARN CN(CCc1nccs1)S(=O)(=O)c1cnn(C2CCOCC2)c1 ZINC000159624936 524710158 /nfs/dbraw/zinc/71/01/58/524710158.db2.gz ZBOFIUQFOOOTOO-UHFFFAOYSA-N 0 0 356.473 1.554 50 70 FDIARN C[C@@H](NC(=O)c1coc(S(=O)(=O)N(C)C)c1)c1nc2ccccc2[nH]1 ZINC000161127640 525040245 /nfs/dbraw/zinc/04/02/45/525040245.db2.gz FFIIWHKLNDLVRL-SNVBAGLBSA-N 0 0 362.411 1.897 50 70 FDIARN O=C(CCc1ccccn1)N[C@@H]1CCOC[C@H]1Oc1ccc(CO)cc1 ZINC000218180228 526618152 /nfs/dbraw/zinc/61/81/52/526618152.db2.gz FQJZNTOOBRZVEB-RTBURBONSA-N 0 0 356.422 1.859 50 70 FDIARN CN1C[C@@]2(CCCN(C(=O)CN3CCc4ccccc4C3)CC2)OC1=O ZINC000217944511 537456516 /nfs/dbraw/zinc/45/65/16/537456516.db2.gz JEOUHODVMORVFX-FQEVSTJZSA-N 0 0 357.454 1.878 50 70 FDIARN O=C(c1nc2ccccc2[nH]c1=O)N1CCCN(Cc2ccncc2)CC1 ZINC000217740675 537456952 /nfs/dbraw/zinc/45/69/52/537456952.db2.gz YFOKVRUFNMYMBU-UHFFFAOYSA-N 0 0 363.421 1.666 50 70 FDIARN Cc1cc(OC2CCN(S(=O)(=O)c3cccs3)CC2)cc(=O)n1C ZINC000217777969 537457653 /nfs/dbraw/zinc/45/76/53/537457653.db2.gz GXZNECKIXAGRHL-UHFFFAOYSA-N 0 0 368.480 1.987 50 70 FDIARN CNC(=O)c1[nH]nc2c1CN(C(=O)Cc1c(C)[nH]c3ccccc31)CC2 ZINC000217998936 537458137 /nfs/dbraw/zinc/45/81/37/537458137.db2.gz XYBKQAJNELYEJR-UHFFFAOYSA-N 0 0 351.410 1.686 50 70 FDIARN Cc1nc(N)sc1C(=O)N[C@@H]1CCOC[C@H]1Oc1ccc(CO)cc1 ZINC000218102080 537458928 /nfs/dbraw/zinc/45/89/28/537458928.db2.gz HKRBBXFMKVAXSU-ZIAGYGMSSA-N 0 0 363.439 1.492 50 70 FDIARN Cc1cc([C@H]2CCCCN2C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)no1 ZINC000218265145 537461087 /nfs/dbraw/zinc/46/10/87/537461087.db2.gz SMAHTADSFPXDOP-OAHLLOKOSA-N 0 0 354.366 1.880 50 70 FDIARN O=C(CN1CCC[C@H](O)C1)NCCCc1nc2cc(Cl)ccc2[nH]1 ZINC000218699734 537465252 /nfs/dbraw/zinc/46/52/52/537465252.db2.gz NWWVUFREQUZZQV-ZDUSSCGKSA-N 0 0 350.850 1.722 50 70 FDIARN CN1C[C@]2(CCCN(C(=O)CCn3c4ccccc4[nH]c3=O)C2)OC1=O ZINC000216911467 568153355 /nfs/dbraw/zinc/15/33/55/568153355.db2.gz KZQNEYJKHPJYFV-SFHVURJKSA-N 0 0 358.398 1.163 50 70 FDIARN CN1C[C@@]2(CCCN(C(=O)CCn3c4ccccc4[nH]c3=O)C2)OC1=O ZINC000216911435 568153388 /nfs/dbraw/zinc/15/33/88/568153388.db2.gz KZQNEYJKHPJYFV-GOSISDBHSA-N 0 0 358.398 1.163 50 70 FDIARN Cc1ccc2c(c1)c(CNC(=O)c1ccc3[nH]c(=O)c(=O)[nH]c3c1)nn2C ZINC000218730315 222686979 /nfs/dbraw/zinc/68/69/79/222686979.db2.gz MQKCELRYYUTQOJ-UHFFFAOYSA-N 0 0 363.377 1.342 50 70 FDIARN COC(=O)C[C@@H](CC(C)C)c1oc(CN2CCOCC2)cc(=O)c1O ZINC000217773454 523271649 /nfs/dbraw/zinc/27/16/49/523271649.db2.gz GOTZJHJGFFQCLV-CYBMUJFWSA-N 0 0 353.415 1.870 50 70 FDIARN COCCNc1nc2cc(C(=O)N(C)C[C@H]3COCCO3)ccc2n1C ZINC000217514464 523967169 /nfs/dbraw/zinc/96/71/69/523967169.db2.gz AXBMZCZITVQAIV-AWEZNQCLSA-N 0 0 362.430 1.119 50 70 FDIARN O=C(CCc1nc(Cl)n[nH]1)N[C@@H]1CCOC[C@H]1Oc1cccc(F)c1 ZINC000218382505 526651885 /nfs/dbraw/zinc/65/18/85/526651885.db2.gz HLOKJLXZFSYTII-CHWSQXEVSA-N 0 0 368.796 1.883 50 70 FDIARN Cc1nc2cccc(C(=O)N3CCCn4nc([C@H](O)CO)cc4C3)c2[nH]1 ZINC000217560039 537455214 /nfs/dbraw/zinc/45/52/14/537455214.db2.gz SEOQPUAEXNWCHK-MRXNPFEDSA-N 0 0 355.398 1.140 50 70 FDIARN Cn1c(=O)[nH]cc(CC(=O)N2CCC[C@H](c3ccc(Cl)cc3)C2)c1=O ZINC000218209129 537460604 /nfs/dbraw/zinc/46/06/04/537460604.db2.gz RYUGJKXGSWUTQL-ZDUSSCGKSA-N 0 0 361.829 1.676 50 70 FDIARN Cc1nc2ncccn2c1C(=O)N[C@@H]1COCC[C@@H]1OCc1cscn1 ZINC000218471238 537463107 /nfs/dbraw/zinc/46/31/07/537463107.db2.gz HLVUFTXWKCFTPH-KGLIPLIRSA-N 0 0 373.438 1.598 50 70 FDIARN CCOc1ccc(C(=O)N2CCn3nc([C@H](O)c4nccn4C)cc3C2)o1 ZINC000218385566 537463119 /nfs/dbraw/zinc/46/31/19/537463119.db2.gz LUIZZGBWBLKQGI-INIZCTEOSA-N 0 0 371.397 1.346 50 70 FDIARN COCCn1c(C)cc(C)c(C(=O)NCCOc2ccc(OC)cc2)c1=O ZINC000218611630 537463538 /nfs/dbraw/zinc/46/35/38/537463538.db2.gz QOAKGQISNGNCFM-UHFFFAOYSA-N 0 0 374.437 1.929 50 70 FDIARN Cc1nc2ccccn2c1C(=O)N1CCC2(CC1)C(=O)N(C)C(=O)N2C ZINC000218352281 537463915 /nfs/dbraw/zinc/46/39/15/537463915.db2.gz CGNKVCPYTAJABT-UHFFFAOYSA-N 0 0 355.398 1.141 50 70 FDIARN CCn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)Cn2ccc3ccccc32)C1 ZINC000218745006 568249539 /nfs/dbraw/zinc/24/95/39/568249539.db2.gz GJYHWEOUYPMULE-SHTZXODSSA-N 0 0 353.426 1.807 50 70 FDIARN CS(=O)(=O)C[C@H](O)c1cc2n(n1)CCN(Cc1cccc(F)c1F)C2 ZINC000218535872 222682494 /nfs/dbraw/zinc/68/24/94/222682494.db2.gz WYGPNFNZRZWWBX-HNNXBMFYSA-N 0 0 371.409 1.255 50 70 FDIARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCCO3)CC2)cc1 ZINC000159718235 222554084 /nfs/dbraw/zinc/55/40/84/222554084.db2.gz VPTDLFXVPRKABJ-INIZCTEOSA-N 0 0 352.456 1.397 50 70 FDIARN CCCN1C(=O)N[C@H](CC(=O)NC2CCN(c3ccccc3)CC2)C1=O ZINC000218015544 521701036 /nfs/dbraw/zinc/70/10/36/521701036.db2.gz MMYCJUWQIGSPAT-MRXNPFEDSA-N 0 0 358.442 1.492 50 70 FDIARN COc1ccccc1N1CCN(C(=O)Cn2cc(OC)c(=O)cc2C)CC1 ZINC000218190238 524548066 /nfs/dbraw/zinc/54/80/66/524548066.db2.gz LKCHNRTWJPQWKH-UHFFFAOYSA-N 0 0 371.437 1.523 50 70 FDIARN O=S(=O)(c1cccnc1)N1CCN(Cc2ccc3c[nH]nc3c2)CC1 ZINC000159863731 524756076 /nfs/dbraw/zinc/75/60/76/524756076.db2.gz KMCLPPXATPNAHO-UHFFFAOYSA-N 0 0 357.439 1.464 50 70 FDIARN Cc1noc(C)c1C[C@@H](C)NS(=O)(=O)c1cccc2c1OCCO2 ZINC000159886299 524760612 /nfs/dbraw/zinc/76/06/12/524760612.db2.gz AIFPFTISIZYUJW-SNVBAGLBSA-N 0 0 352.412 1.972 50 70 FDIARN C[C@H](O)c1cc2n(n1)CCN(C(=O)COc1ncnc3ccccc31)C2 ZINC000217832679 525851677 /nfs/dbraw/zinc/85/16/77/525851677.db2.gz OEXOTRFAOJLISC-LBPRGKRZSA-N 0 0 353.382 1.301 50 70 FDIARN O=C(CC1=CSC2=NCCCN12)N1CCCO[C@H](Cn2cccn2)C1 ZINC000216986226 526340769 /nfs/dbraw/zinc/34/07/69/526340769.db2.gz UBYHCDVLKCECND-HNNXBMFYSA-N 0 0 361.471 1.541 50 70 FDIARN Cc1nc([C@H]2C[C@@H](NC(=O)CN3CCc4ccccc4C3)C2)cc(=O)[nH]1 ZINC000218120421 527086862 /nfs/dbraw/zinc/08/68/62/527086862.db2.gz KSHSBFPVUVUSKP-QAQDUYKDSA-N 0 0 352.438 1.499 50 70 FDIARN Cc1ncsc1CCNC(=O)CNS(=O)(=O)c1ccc(F)cc1C ZINC000217926656 527489019 /nfs/dbraw/zinc/48/90/19/527489019.db2.gz TUPWCMIMQNYCMB-UHFFFAOYSA-N 0 0 371.459 1.536 50 70 FDIARN Nc1nnc(SCC(=O)NCc2csc(-c3ncccn3)n2)s1 ZINC000218250322 527577507 /nfs/dbraw/zinc/57/75/07/527577507.db2.gz BBVDGPDNGMDXMZ-UHFFFAOYSA-N 0 0 365.469 1.442 50 70 FDIARN OC[C@@H](O)c1cc2n(n1)CCN(Cc1nccn1Cc1ccccc1)C2 ZINC000217185315 527585277 /nfs/dbraw/zinc/58/52/77/527585277.db2.gz MDOYRHPDIQBEBM-GOSISDBHSA-N 0 0 353.426 1.169 50 70 FDIARN Cn1cc(C(=O)N2CCC(c3nc4cc(F)ccc4[nH]3)CC2)c(=O)[nH]c1=O ZINC000217117145 537451533 /nfs/dbraw/zinc/45/15/33/537451533.db2.gz RTBBWTAMUWRZLU-UHFFFAOYSA-N 0 0 371.372 1.109 50 70 FDIARN CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@H]2c1ccc2nccnc2c1 ZINC000217596208 537455017 /nfs/dbraw/zinc/45/50/17/537455017.db2.gz CTUIRPYITBQQEJ-NSHDSACASA-N 0 0 365.345 1.936 50 70 FDIARN O=C(NCc1cc2ccccc2[nH]1)[C@H]1Cc2ccccc2S(=O)(=O)N1 ZINC000217746672 537457499 /nfs/dbraw/zinc/45/74/99/537457499.db2.gz SPKAVQKSESKXSU-MRXNPFEDSA-N 0 0 355.419 1.687 50 70 FDIARN O=C(N[C@@H]1CCOC[C@H]1OCc1ccccc1)c1cnc2cccnn21 ZINC000218149380 537459102 /nfs/dbraw/zinc/45/91/02/537459102.db2.gz GVCBJMXKHYIRSP-NVXWUHKLSA-N 0 0 352.394 1.833 50 70 FDIARN Cc1c(F)cccc1CN1CCn2nc([C@@H](O)CC(=O)N(C)C)cc2C1 ZINC000218300286 537461930 /nfs/dbraw/zinc/46/19/30/537461930.db2.gz BOHLOVPGZYVPHM-SFHVURJKSA-N 0 0 360.433 1.858 50 70 FDIARN CCOC(=O)N1CCN(Cc2cc3cc4c(cc3[nH]c2=O)OCO4)CC1 ZINC000218567253 537464199 /nfs/dbraw/zinc/46/41/99/537464199.db2.gz OVPWZEWIMVVQKC-UHFFFAOYSA-N 0 0 359.382 1.531 50 70 FDIARN CC(C)=CCO[C@@H]1COCC[C@H]1NC(=O)c1c[nH]c2cc(C)nn2c1=O ZINC000218334813 537464323 /nfs/dbraw/zinc/46/43/23/537464323.db2.gz ZDXSZOQMRLTWJV-HUUCEWRRSA-N 0 0 360.414 1.201 50 70 FDIARN O=C(CCn1cnc2ccccc2c1=O)NCC1(Cn2cccn2)CC1 ZINC000218712619 537464826 /nfs/dbraw/zinc/46/48/26/537464826.db2.gz JGTDAFZZAWKBEB-UHFFFAOYSA-N 0 0 351.410 1.580 50 70 FDIARN COCCc1noc([C@H]2CCCCN2C(=O)c2ccc3n[nH]nc3c2)n1 ZINC000218691130 537465002 /nfs/dbraw/zinc/46/50/02/537465002.db2.gz LGRRXSWJWYMDLE-CQSZACIVSA-N 0 0 356.386 1.897 50 70 FDIARN NC(=O)CO[C@@H]1COCC[C@H]1NC(=O)c1ccc(Oc2ccccc2)o1 ZINC000218686073 537465576 /nfs/dbraw/zinc/46/55/76/537465576.db2.gz QMTQAUIWJYPGDP-UKRRQHHQSA-N 0 0 360.366 1.461 50 70 FDIARN NC(=O)c1ccc(O[C@@H]2COCC[C@H]2NC(=O)Cc2ccc(O)cc2)cc1 ZINC000218713416 537465712 /nfs/dbraw/zinc/46/57/12/537465712.db2.gz AVAUSVVMAVYJJE-QZTJIDSGSA-N 0 0 370.405 1.386 50 70 FDIARN Cc1cc(C)n([C@H]2CCN(C(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)C2)n1 ZINC000218745343 568249537 /nfs/dbraw/zinc/24/95/37/568249537.db2.gz BBPPTYVBSORXJN-ZDUSSCGKSA-N 0 0 353.382 1.117 50 70 FDIARN CN(C)S(=O)(=O)c1ccc(C(=O)NCC[C@H](O)c2cccn2C)cc1 ZINC000217937304 521977059 /nfs/dbraw/zinc/97/70/59/521977059.db2.gz VGLHQZQMDRHFTD-INIZCTEOSA-N 0 0 365.455 1.129 50 70 FDIARN CCc1nc(C)c(CC(=O)NCc2cnn(-c3ccc(F)cc3)c2)c(=O)[nH]1 ZINC000217188770 522200834 /nfs/dbraw/zinc/20/08/34/522200834.db2.gz UGZXOLKUUCKZCD-UHFFFAOYSA-N 0 0 369.400 1.824 50 70 FDIARN Cc1cc(C)n(CCNC(=O)c2c(C)cc(C)n(C[C@H]3CCCO3)c2=O)n1 ZINC000218534861 524529516 /nfs/dbraw/zinc/52/95/16/524529516.db2.gz SSXRSZPVQCXOFZ-QGZVFWFLSA-N 0 0 372.469 1.887 50 70 FDIARN Cc1cc(OC2CCN(C(=O)Cn3cnc(C)c(C)c3=O)CC2)cc(=O)o1 ZINC000217770427 525356417 /nfs/dbraw/zinc/35/64/17/525356417.db2.gz GGKQHAWPTFXIOR-UHFFFAOYSA-N 0 0 373.409 1.192 50 70 FDIARN CSCc1ccc(C(=O)N2CCC(c3nnc(CO)n3C)CC2)o1 ZINC000217213602 525723741 /nfs/dbraw/zinc/72/37/41/525723741.db2.gz ZNISMROWOGMYCS-UHFFFAOYSA-N 0 0 350.444 1.783 50 70 FDIARN C[C@H](O)c1cc2n(n1)CCN(Cc1cc(=O)n3nc(C4CC4)sc3n1)C2 ZINC000217208333 525852629 /nfs/dbraw/zinc/85/26/29/525852629.db2.gz WINFUQVPSXPFPI-JTQLQIEISA-N 0 0 372.454 1.294 50 70 FDIARN C[C@@H](c1ccncn1)N(C)C(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000218365072 526152063 /nfs/dbraw/zinc/15/20/63/526152063.db2.gz HKGKLPGNLRNMPX-AWEZNQCLSA-N 0 0 353.426 1.943 50 70 FDIARN Cc1nc(SCCNC(=O)[C@H]2CC(=O)N(c3cccc(F)c3)C2)n[nH]1 ZINC000218058895 526531233 /nfs/dbraw/zinc/53/12/33/526531233.db2.gz OEXGDBBUVJSSBW-NSHDSACASA-N 0 0 363.418 1.514 50 70 FDIARN Cc1nn(C(C)C)c(C)c1S(=O)(=O)NCC[C@H](O)C1CCOCC1 ZINC000217926939 527590935 /nfs/dbraw/zinc/59/09/35/527590935.db2.gz VKUGQJDBCVRCNX-HNNXBMFYSA-N 0 0 359.492 1.537 50 70 FDIARN C[C@H](O)c1cc2n(n1)CCN(C(=O)Cn1cc(C(F)(F)F)ccc1=O)C2 ZINC000217134485 537452867 /nfs/dbraw/zinc/45/28/67/537452867.db2.gz XEOLUCDRKCTXDA-JTQLQIEISA-N 0 0 370.331 1.159 50 70 FDIARN Cc1cc(C)n2nc(CC(=O)N[C@@H]3CC(=O)Nc4ccccc43)nc2n1 ZINC000217347393 537453803 /nfs/dbraw/zinc/45/38/03/537453803.db2.gz BDGOWLMBPMUTJU-CQSZACIVSA-N 0 0 350.382 1.483 50 70 FDIARN Cc1nc(=O)[nH]c(C)c1CCC(=O)N1CCCn2nc([C@@H](C)O)cc2C1 ZINC000217861099 537456697 /nfs/dbraw/zinc/45/66/97/537456697.db2.gz RHZYLKOTORMQOB-CYBMUJFWSA-N 0 0 359.430 1.414 50 70 FDIARN Cc1cc(=O)c2ccccc2n1CC(=O)N1CCC[C@@]2(CNC(=O)O2)C1 ZINC000218173179 537460781 /nfs/dbraw/zinc/46/07/81/537460781.db2.gz HJRZLZVGDBMTKV-LJQANCHMSA-N 0 0 355.394 1.411 50 70 FDIARN O=C(N[C@@H]1COCC[C@@H]1OCc1ccccc1)c1[nH]nc2c1COCC2 ZINC000218474657 537463831 /nfs/dbraw/zinc/46/38/31/537463831.db2.gz IIRSKQJWNADQHG-SJORKVTESA-N 0 0 357.410 1.587 50 70 FDIARN Cc1nc([C@H]2CCCN(C(=O)COc3ccc(-n4cnnn4)cc3)C2)no1 ZINC000218707173 537464923 /nfs/dbraw/zinc/46/49/23/537464923.db2.gz XHKPIKWCSVJXKQ-ZDUSSCGKSA-N 0 0 369.385 1.139 50 70 FDIARN COC(=O)C[C@@H](c1ccc(OC)cc1)c1c(O)c(C(=O)OC)c[nH]c1=O ZINC000218106513 210175417 /nfs/dbraw/zinc/17/54/17/210175417.db2.gz AKTYYWITDSACOY-LBPRGKRZSA-N 0 0 361.350 1.571 50 70 FDIARN O=C(N[C@@H]1CCOC[C@H]1Oc1ccccn1)c1ccc(-n2cnnc2)cc1 ZINC000218072512 222676703 /nfs/dbraw/zinc/67/67/03/222676703.db2.gz LPCMKRLDWMTKHU-IAGOWNOFSA-N 0 0 365.393 1.629 50 70 FDIARN O=C(N[C@@H]1COCC[C@@H]1OCc1cscn1)c1ccc2n[nH]nc2c1 ZINC000218132886 222677239 /nfs/dbraw/zinc/67/72/39/222677239.db2.gz GRTBZRJNLCGPTJ-CABCVRRESA-N 0 0 359.411 1.519 50 70 FDIARN Cc1cc(C)n2nc(CC(=O)N3CCc4[nH]nc(C(C)C)c4C3)nc2n1 ZINC000218665616 222685143 /nfs/dbraw/zinc/68/51/43/222685143.db2.gz BEDSABVVEKYKBD-UHFFFAOYSA-N 0 0 353.430 1.715 50 70 FDIARN CCCc1ccc(CN2CCn3nc([C@@H](O)CS(C)(=O)=O)cc3C2)o1 ZINC000218558721 521397376 /nfs/dbraw/zinc/39/73/76/521397376.db2.gz UQLLXUMQWWKDKU-KRWDZBQOSA-N 0 0 367.471 1.522 50 70 FDIARN COc1cc2c(cc1OC)CC(=O)N(CC(=O)N[C@H](CO)C(C)C)C=C2 ZINC000217896433 523022368 /nfs/dbraw/zinc/02/23/68/523022368.db2.gz ODAQLOQOKZFVIQ-OAHLLOKOSA-N 0 0 362.426 1.192 50 70 FDIARN COc1ccc(N2C(=O)N[C@@H](CC(=O)NCc3ccccn3)C2=O)cc1 ZINC000218541693 524395849 /nfs/dbraw/zinc/39/58/49/524395849.db2.gz PYNLGGVAVZENFS-HNNXBMFYSA-N 0 0 354.366 1.222 50 70 FDIARN Cc1cc(C)nc(NCC(=O)N2CCN(CCc3ccccn3)CC2)n1 ZINC000218499727 524589720 /nfs/dbraw/zinc/58/97/20/524589720.db2.gz FEQLCYUKILANBF-UHFFFAOYSA-N 0 0 354.458 1.287 50 70 FDIARN Cc1cc(S(=O)(=O)NCC(=O)NCC[C@H]2CCCCO2)ccc1F ZINC000217003364 525405584 /nfs/dbraw/zinc/40/55/84/525405584.db2.gz YVNNUNVQHXFVKM-CYBMUJFWSA-N 0 0 358.435 1.488 50 70 FDIARN O=C(CCN1CCn2nc([C@H](O)C3CC3)cc2C1)NCc1cccs1 ZINC000218427410 526493473 /nfs/dbraw/zinc/49/34/73/526493473.db2.gz JJHFFBUGGQJBFD-GOSISDBHSA-N 0 0 360.483 1.910 50 70 FDIARN O=C(CCc1c[nH]c2ccccc12)N1CCn2nc([C@@H](O)CO)cc2C1 ZINC000216911814 526579593 /nfs/dbraw/zinc/57/95/93/526579593.db2.gz SFRWAJRIYRLARI-SFHVURJKSA-N 0 0 354.410 1.365 50 70 FDIARN Cc1nc2ncccn2c1C(=O)N[C@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1 ZINC000217998847 527202280 /nfs/dbraw/zinc/20/22/80/527202280.db2.gz MRAVCEMDHLVSKP-FVQBIDKESA-N 0 0 351.410 1.545 50 70 FDIARN O=C(Cc1ccc2c(c1)OCO2)N[C@@H](Cc1ccncc1)[C@H]1C[C@@H](O)C1 ZINC000218282938 527253620 /nfs/dbraw/zinc/25/36/20/527253620.db2.gz PKTUJLFODXNOJS-ULQDDVLXSA-N 0 0 354.406 1.851 50 70 FDIARN COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1cccn(C)c1=O ZINC000217877545 537457176 /nfs/dbraw/zinc/45/71/76/537457176.db2.gz MSYVTVAXYXURHA-IUODEOHRSA-N 0 0 374.368 1.360 50 70 FDIARN Cc1cc(OC2CCN(S(=O)(=O)c3cccnc3)CC2)cc(=O)n1C ZINC000217777838 537457280 /nfs/dbraw/zinc/45/72/80/537457280.db2.gz CWYYRGLKHSQQTN-UHFFFAOYSA-N 0 0 363.439 1.321 50 70 FDIARN COc1ccc2c(c1)CCC[C@@]2(O)CNC(=O)C(=O)Nc1cccnc1 ZINC000218011086 537457562 /nfs/dbraw/zinc/45/75/62/537457562.db2.gz YVRLQIUACQNAGW-LJQANCHMSA-N 0 0 355.394 1.369 50 70 FDIARN COc1cc([C@@H](CC(N)=O)c2oc(C)cc(=O)c2O)cc2c1OCCO2 ZINC000217837750 537457705 /nfs/dbraw/zinc/45/77/05/537457705.db2.gz CNLKOZAQIVYPEN-LLVKDONJSA-N 0 0 361.350 1.441 50 70 FDIARN C[C@H](O)c1cc2n(n1)CCN(C(=O)CCn1c(=O)[nH]c3ccccc31)C2 ZINC000217962158 537457757 /nfs/dbraw/zinc/45/77/57/537457757.db2.gz MZVCTBCMIKTOCK-LBPRGKRZSA-N 0 0 355.398 1.012 50 70 FDIARN NC(=O)c1ccc(O[C@@H]2CCOC[C@H]2NC(=O)Cc2ccccc2)cc1 ZINC000218243442 537462035 /nfs/dbraw/zinc/46/20/35/537462035.db2.gz KLILAVVHAYQLKP-QZTJIDSGSA-N 0 0 354.406 1.681 50 70 FDIARN Cc1ccc(F)c(S(=O)(=O)N[C@@H](c2cnn(C)c2)C2CC(O)C2)c1 ZINC000218598041 537463434 /nfs/dbraw/zinc/46/34/34/537463434.db2.gz YZQMYSHMRSDMKE-IJGSQOGDSA-N 0 0 353.419 1.658 50 70 FDIARN CN(C)c1nsc(N2CCn3nc([C@H](O)c4ccccc4)cc3C2)n1 ZINC000217202125 222670814 /nfs/dbraw/zinc/67/08/14/222670814.db2.gz FSMFBYKLSQAWCK-OAHLLOKOSA-N 0 0 356.455 1.903 50 70 FDIARN COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCC[C@H]1c1ccccn1 ZINC000217623390 222672735 /nfs/dbraw/zinc/67/27/35/222672735.db2.gz CNMAKNBDSBBADA-HNNXBMFYSA-N 0 0 361.423 1.715 50 70 FDIARN CNc1cc([C@H]2C[C@H](NC(=O)c3sc4[nH]cnc(=O)c4c3C)C2)ncn1 ZINC000218715033 222686422 /nfs/dbraw/zinc/68/64/22/222686422.db2.gz QJRRBJQKZXMZKW-AOOOYVTPSA-N 0 0 370.438 1.801 50 70 FDIARN Nc1nc2c(c(C(=O)N3CCN(c4ccc(Cl)cn4)CC3)n1)CCCC2 ZINC000217643318 132272309 /nfs/dbraw/zinc/27/23/09/132272309.db2.gz LEYLAPIOUSETSA-UHFFFAOYSA-N 0 0 372.860 1.948 50 70 FDIARN CC1(C)NC(=O)N(CC(=O)NCCCCCc2nc3ccccc3[nH]2)C1=O ZINC000218147868 520598747 /nfs/dbraw/zinc/59/87/47/520598747.db2.gz VGVZYGFQEROMHL-UHFFFAOYSA-N 0 0 371.441 1.722 50 70 FDIARN COc1ccc(N2C(=O)N[C@@H](CCC(=O)NCCc3ccco3)C2=O)cc1 ZINC000218540879 524395120 /nfs/dbraw/zinc/39/51/20/524395120.db2.gz WCLDUPVQMODQJH-INIZCTEOSA-N 0 0 371.393 1.852 50 70 FDIARN Cc1cc(C)nc(NCC(=O)N2CCN(CCc3ccncc3)CC2)n1 ZINC000218258151 524588948 /nfs/dbraw/zinc/58/89/48/524588948.db2.gz XECZCMHASIYALR-UHFFFAOYSA-N 0 0 354.458 1.287 50 70 FDIARN CC[C@H](O)CN1CCN(C(=O)Nc2ccc(-c3ncn(C)n3)cc2)CC1 ZINC000161080648 525027854 /nfs/dbraw/zinc/02/78/54/525027854.db2.gz UCONHQQTRFUCMT-INIZCTEOSA-N 0 0 358.446 1.403 50 70 FDIARN Cc1cc(N)n(CC(=O)N[C@@H](c2ccc3c(c2)CCO3)C2CC(O)C2)n1 ZINC000218473235 525042102 /nfs/dbraw/zinc/04/21/02/525042102.db2.gz LOGUJSIXJXGDOQ-ZOJXTTQQSA-N 0 0 356.426 1.337 50 70 FDIARN COc1nn(C)cc1C(=O)NCc1nn(C2CCCC2)c2c1COCC2 ZINC000217586927 525090870 /nfs/dbraw/zinc/09/08/70/525090870.db2.gz GIFXLCHZDMEPBG-UHFFFAOYSA-N 0 0 359.430 1.743 50 70 FDIARN Cc1cc(OC2CN(C(=O)CNC(=O)OCc3ccccc3)C2)cc(=O)o1 ZINC000217752004 525356304 /nfs/dbraw/zinc/35/63/04/525356304.db2.gz NMRHFLMUPJCZJA-UHFFFAOYSA-N 0 0 372.377 1.464 50 70 FDIARN CSc1ncc(C(=O)NC[C@H](c2cccnc2)N2CCOCC2)cn1 ZINC000218373626 526220162 /nfs/dbraw/zinc/22/01/62/526220162.db2.gz WFRMHQZFZACDIJ-OAHLLOKOSA-N 0 0 359.455 1.397 50 70 FDIARN Cc1n[nH]c(C)c1[C@@H](N)C(=O)NCc1nncn1CCc1ccccc1 ZINC000218555497 526511622 /nfs/dbraw/zinc/51/16/22/526511622.db2.gz FHSQYJZZBYMQHG-QGZVFWFLSA-N 0 0 353.430 1.177 50 70 FDIARN Cc1nc(SCCNC(=O)[C@@H]2CC(=O)N(c3cccc(F)c3)C2)n[nH]1 ZINC000218058824 526532128 /nfs/dbraw/zinc/53/21/28/526532128.db2.gz OEXGDBBUVJSSBW-LLVKDONJSA-N 0 0 363.418 1.514 50 70 FDIARN O=C(COc1ncnc2ccccc21)NCCc1noc([C@H]2CCCO2)n1 ZINC000217913091 527003838 /nfs/dbraw/zinc/00/38/38/527003838.db2.gz WJVGYUSETIDGNI-CQSZACIVSA-N 0 0 369.381 1.602 50 70 FDIARN Cc1nnc([C@@H](C)NC(=O)C2CCN(C(=O)Cc3ccccc3)CC2)[nH]1 ZINC000217452593 527026096 /nfs/dbraw/zinc/02/60/96/527026096.db2.gz YUVDQBVZRCYKCF-CYBMUJFWSA-N 0 0 355.442 1.772 50 70 FDIARN Cn1cc([C@H](NC(=O)CCn2cnc3ccccc32)[C@H]2C[C@H](O)C2)cn1 ZINC000218334118 527314195 /nfs/dbraw/zinc/31/41/95/527314195.db2.gz GXXPYWUHNIWHMD-FRIZHTMISA-N 0 0 353.426 1.788 50 70 FDIARN Cn1nc(C(=O)NCCc2noc([C@@H]3CCCO3)n2)c2ccccc2c1=O ZINC000217010034 527545203 /nfs/dbraw/zinc/54/52/03/527545203.db2.gz FQFBTYSVDMUZLG-ZDUSSCGKSA-N 0 0 369.381 1.141 50 70 FDIARN O=C(c1ccccc1Br)N1CC(N2C(=O)CSC2=O)C1 ZINC000217746656 537456899 /nfs/dbraw/zinc/45/68/99/537456899.db2.gz AKLUBJPPNLKTQP-UHFFFAOYSA-N 0 0 355.213 1.969 50 70 FDIARN O=C(c1cc(-c2ccco2)n[nH]1)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 ZINC000217733558 537457860 /nfs/dbraw/zinc/45/78/60/537457860.db2.gz UDNJIJXVDHVRAP-STQMWFEESA-N 0 0 366.377 1.445 50 70 FDIARN Cc1ccn2cc(CNC(=O)[C@@H]3Cc4ccccc4S(=O)(=O)N3)nc2c1 ZINC000217907452 537458099 /nfs/dbraw/zinc/45/80/99/537458099.db2.gz QHGUQLDSLXOAQG-HNNXBMFYSA-N 0 0 370.434 1.162 50 70 FDIARN O=C(c1n[nH]c2c1CCC2)N1CCc2[nH]c(-c3cccc(CO)c3)nc2C1 ZINC000218184918 537461940 /nfs/dbraw/zinc/46/19/40/537461940.db2.gz SVSJYFWCZHHQJJ-UHFFFAOYSA-N 0 0 363.421 1.979 50 70 FDIARN Cc1nc2ccccc2n1CCNC(=O)C1(n2cnnn2)CCCCC1 ZINC000218273644 537462001 /nfs/dbraw/zinc/46/20/01/537462001.db2.gz GJUCVASGLSSTLU-UHFFFAOYSA-N 0 0 353.430 1.807 50 70 FDIARN O=C(CCc1cnccn1)N[C@@H]1COCC[C@H]1Oc1ccc(CO)cc1 ZINC000218596684 537462713 /nfs/dbraw/zinc/46/27/13/537462713.db2.gz BZOCSUYWCKBYMG-QZTJIDSGSA-N 0 0 357.410 1.254 50 70 FDIARN COc1ccc(S(N)(=O)=O)cc1C(=O)NCCCc1c(C)n[nH]c1C ZINC000218711935 537465887 /nfs/dbraw/zinc/46/58/87/537465887.db2.gz RYZNDRBNZKCIPD-UHFFFAOYSA-N 0 0 366.443 1.045 50 70 FDIARN CCCCSCc1cc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)oc1C ZINC000217881372 520958077 /nfs/dbraw/zinc/95/80/77/520958077.db2.gz VBRLEHOLGPBMIX-CHWSQXEVSA-N 0 0 361.485 1.509 50 70 FDIARN COC(=O)Nc1ccc(S(=O)(=O)NCC[C@@H](O)c2cccn2C)cc1 ZINC000217944587 523470479 /nfs/dbraw/zinc/47/04/79/523470479.db2.gz WIXKLBNNETZMMZ-OAHLLOKOSA-N 0 0 367.427 1.605 50 70 FDIARN CS(=O)(=O)Nc1cccc2c1ccn2CC(=O)NCC1CCOCC1 ZINC000218158669 525226000 /nfs/dbraw/zinc/22/60/00/525226000.db2.gz QOJYPMACXKKZGZ-UHFFFAOYSA-N 0 0 365.455 1.556 50 70 FDIARN Cc1ccc(O[C@H]2CCOC[C@H]2NC(=O)Cc2cn3ccsc3n2)cn1 ZINC000218076081 525472471 /nfs/dbraw/zinc/47/24/71/525472471.db2.gz BWCKWWSLWPJYTK-CVEARBPZSA-N 0 0 372.450 1.994 50 70 FDIARN Cc1nnc(CCNC(=O)C2CCN(C(=O)C3CCCC3)CC2)s1 ZINC000218570614 526327430 /nfs/dbraw/zinc/32/74/30/526327430.db2.gz WKJVVYZKUDFCHX-UHFFFAOYSA-N 0 0 350.488 1.934 50 70 FDIARN O=C(C[C@@H]1NC(=O)N(Cc2ccco2)C1=O)NCCc1ccc(O)cc1 ZINC000218325328 527138264 /nfs/dbraw/zinc/13/82/64/527138264.db2.gz QGVFXRUBIQPRAR-HNNXBMFYSA-N 0 0 357.366 1.155 50 70 FDIARN C[C@H](O)c1cc2n(n1)CCCN(C(=O)c1[nH]c(=O)nc3ccccc31)C2 ZINC000217535020 537454878 /nfs/dbraw/zinc/45/48/78/537454878.db2.gz POAHOEPYPAHSLA-NSHDSACASA-N 0 0 353.382 1.219 50 70 FDIARN Cc1nc2ccc(S(=O)(=O)N3CCn4nc(CO)cc4C3)cc2s1 ZINC000217796036 537457012 /nfs/dbraw/zinc/45/70/12/537457012.db2.gz JYFRXJGXHVSWMF-UHFFFAOYSA-N 0 0 364.452 1.498 50 70 FDIARN CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)c1ccc2c(c1)OCC(=O)N2 ZINC000218074651 537459940 /nfs/dbraw/zinc/45/99/40/537459940.db2.gz JWPZXFRWAZNWGE-CVEARBPZSA-N 0 0 360.410 1.888 50 70 FDIARN COC[C@@H]1[C@H](NS(=O)(=O)c2ccc(OC)c(OC)c2)[C@@H]2CCO[C@H]12 ZINC000218118477 537460073 /nfs/dbraw/zinc/46/00/73/537460073.db2.gz QCRUQMMXVPVGGB-OJDYBEQGSA-N 0 0 357.428 1.032 50 70 FDIARN Cc1ccc(F)c(S(=O)(=O)N[C@H](c2cnn(C)c2)C2CC(O)C2)c1 ZINC000218598100 537462816 /nfs/dbraw/zinc/46/28/16/537462816.db2.gz YZQMYSHMRSDMKE-TZDAIYRESA-N 0 0 353.419 1.658 50 70 FDIARN COCc1c(C)onc1C(=O)N[C@@H](c1cncc(OC)c1)[C@H]1C[C@H](O)C1 ZINC000218782128 537466961 /nfs/dbraw/zinc/46/69/61/537466961.db2.gz RCYIPEQQWUALCI-PVXIVEMSSA-N 0 0 361.398 1.775 50 70 FDIARN CCOCC(=O)N1CCC(C(=O)N[C@@H](CC)c2cn3cccnc3n2)CC1 ZINC000218747708 568249693 /nfs/dbraw/zinc/24/96/93/568249693.db2.gz ASCOYQXLHIUGLX-HNNXBMFYSA-N 0 0 373.457 1.572 50 70 FDIARN NS(=O)(=O)c1ccsc1C(=O)N1CCC(c2ccncc2)CC1 ZINC000217091253 222669656 /nfs/dbraw/zinc/66/96/56/222669656.db2.gz RHHZRLXFNFRZJE-UHFFFAOYSA-N 0 0 351.453 1.810 50 70 FDIARN O=C(c1cnc2ccccc2n1)N1CC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 ZINC000217722755 222673650 /nfs/dbraw/zinc/67/36/50/222673650.db2.gz OUSVEQBIOGFUFT-ZIAGYGMSSA-N 0 0 362.389 1.405 50 70 FDIARN O=C(N[C@@H]1CCOC[C@H]1OCc1cscn1)c1ccc2c(c1)OCO2 ZINC000218007147 222676203 /nfs/dbraw/zinc/67/62/03/222676203.db2.gz WLZRLSDFXJXCBQ-CZUORRHYSA-N 0 0 362.407 1.976 50 70 FDIARN CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)C1(c2ccccc2)CCC1 ZINC000160241736 173703360 /nfs/dbraw/zinc/70/33/60/173703360.db2.gz CYXUUNGXMYOEOM-GOEBONIOSA-N 0 0 350.484 1.942 50 70 FDIARN CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)Cc1c(F)cccc1Cl ZINC000160314210 173706459 /nfs/dbraw/zinc/70/64/59/173706459.db2.gz PRMRCDRCOLJBSA-HZMBPMFUSA-N 0 0 362.854 1.856 50 70 FDIARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCCO3)CC2)cc1 ZINC000159718362 222553291 /nfs/dbraw/zinc/55/32/91/222553291.db2.gz VPTDLFXVPRKABJ-MRXNPFEDSA-N 0 0 352.456 1.397 50 70 FDIARN O=C(COc1ccc(-n2cnnn2)cc1)NC[C@H]1OCCc2ccccc21 ZINC000217546397 526947425 /nfs/dbraw/zinc/94/74/25/526947425.db2.gz WIBLHHHUCBMPOY-GOSISDBHSA-N 0 0 365.393 1.471 50 70 FDIARN CCCc1cc(N2CCn3nc([C@H](O)c4nccn4C)cc3C2)nc(C)n1 ZINC000218233505 535400947 /nfs/dbraw/zinc/40/09/47/535400947.db2.gz ADXDXJAYAIQFHD-SFHVURJKSA-N 0 0 367.457 1.769 50 70 FDIARN NC(=O)COc1ccc(CN2CCCn3nc(CO)cc3C2)cc1Cl ZINC000217044568 537452212 /nfs/dbraw/zinc/45/22/12/537452212.db2.gz USCOFYXZHOMCQN-UHFFFAOYSA-N 0 0 364.833 1.299 50 70 FDIARN COc1cccc(C(=O)N2CCC(C(=O)NCc3nnc(C)o3)CC2)c1 ZINC000217060966 537452308 /nfs/dbraw/zinc/45/23/08/537452308.db2.gz CGHSPFANDYPKIB-UHFFFAOYSA-N 0 0 358.398 1.555 50 70 FDIARN C[C@H](O)c1cc2n(n1)CCN(C(=O)C1(N3CCOCC3)CCCCC1)C2 ZINC000216969038 537452799 /nfs/dbraw/zinc/45/27/99/537452799.db2.gz XLAMGSLWDHEWAB-HNNXBMFYSA-N 0 0 362.474 1.314 50 70 FDIARN NC(=O)COc1ccc(Cl)cc1CN1CCCn2nc(CO)cc2C1 ZINC000216996599 537453077 /nfs/dbraw/zinc/45/30/77/537453077.db2.gz MLDKXQDACGNYHI-UHFFFAOYSA-N 0 0 364.833 1.299 50 70 FDIARN O=C(Cc1c[nH]c(=O)[nH]c1=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000217583110 537455485 /nfs/dbraw/zinc/45/54/85/537455485.db2.gz JNFHCJZJQPRUJX-CQSZACIVSA-N 0 0 355.394 1.559 50 70 FDIARN CN(C)Cc1nnc([C@H]2C[C@@H](NC(=O)c3[nH]nc4ccccc43)C2)n1C ZINC000218131724 537459448 /nfs/dbraw/zinc/45/94/48/537459448.db2.gz UMRWLAXYPGXEEC-HAQNSBGRSA-N 0 0 353.430 1.429 50 70 FDIARN CCOC(=O)Cc1[nH][nH]c(=O)c1[C@H](CC(N)=O)c1ccc2ncccc2c1 ZINC000218328418 537463088 /nfs/dbraw/zinc/46/30/88/537463088.db2.gz YFMAYKWOMMSCAU-CYBMUJFWSA-N 0 0 368.393 1.364 50 70 FDIARN O=C(Cc1ccc(C(F)(F)F)cc1)N1C[C@H](O)[C@@H](N2CCOCC2)C1 ZINC000218345408 537463637 /nfs/dbraw/zinc/46/36/37/537463637.db2.gz DHVXNUQMXUZZPA-GJZGRUSLSA-N 0 0 358.360 1.152 50 70 FDIARN Cc1cc(C)n(C[C@H]2CCCO2)c(=O)c1C(=O)NCCCn1ccnc1 ZINC000218597291 537464056 /nfs/dbraw/zinc/46/40/56/537464056.db2.gz SSLGGIDUIXSTJW-MRXNPFEDSA-N 0 0 358.442 1.661 50 70 FDIARN NC(=O)c1ccc(C(=O)N[C@@H]2CCOC[C@H]2OCc2cscn2)cc1 ZINC000218316569 537464310 /nfs/dbraw/zinc/46/43/10/537464310.db2.gz HYDVAECAVGLHAZ-HUUCEWRRSA-N 0 0 361.423 1.346 50 70 FDIARN CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCC1(c2ccccc2)CCOCC1 ZINC000217423349 568183043 /nfs/dbraw/zinc/18/30/43/568183043.db2.gz NPHGQWRKJJOIPX-SFHVURJKSA-N 0 0 370.453 1.322 50 70 FDIARN Cc1nc(CC(=O)N[C@H]2C[C@H](c3cc(N4CC[C@H](O)C4)ncn3)C2)cs1 ZINC000218732029 568248718 /nfs/dbraw/zinc/24/87/18/568248718.db2.gz ZPOAKYJFKPOPBU-GUTXKFCHSA-N 0 0 373.482 1.417 50 70 FDIARN CCOc1ccc(CC(=O)NC2C[C@H]3CC[C@@H](C2)N3S(C)(=O)=O)cc1 ZINC000217677276 222673491 /nfs/dbraw/zinc/67/34/91/222673491.db2.gz ZNZIZLYFFBTAKP-MQVJKMGUSA-N 0 0 366.483 1.699 50 70 FDIARN Cn1cc([C@H](NC(=O)CCn2c(=O)[nH]c3ccccc32)C2CC(O)C2)cn1 ZINC000218662356 222684911 /nfs/dbraw/zinc/68/49/11/222684911.db2.gz ZNLIATVOULZTRK-OOKWDQIISA-N 0 0 369.425 1.082 50 70 FDIARN O=C(Cn1c(=O)oc2ccccc21)N[C@H]1CCCN(c2cnccn2)C1 ZINC000217796846 132272232 /nfs/dbraw/zinc/27/22/32/132272232.db2.gz QSWPPWCUQYMTQR-ZDUSSCGKSA-N 0 0 353.382 1.170 50 70 FDIARN COC[C@@H]1[C@@H](NC(=O)CCNC(=O)c2ccc(F)cc2)[C@@H]2CCO[C@H]12 ZINC000218422209 522517301 /nfs/dbraw/zinc/51/73/01/522517301.db2.gz RQWLHJVUSNPZPG-FSDCSDTHSA-N 0 0 350.390 1.112 50 70 FDIARN Cc1ccc(O[C@H]2CCOC[C@H]2NC(=O)C2(Cn3ccnc3)CC2)cn1 ZINC000218049917 525472187 /nfs/dbraw/zinc/47/21/87/525472187.db2.gz KXSCXIGMNYSDGU-SJORKVTESA-N 0 0 356.426 1.719 50 70 FDIARN O=C(NCc1nc(-c2cnccn2)n[nH]1)c1ccccc1N1CCOCC1 ZINC000217720147 526818278 /nfs/dbraw/zinc/81/82/78/526818278.db2.gz RQALFCZRJKJOJB-UHFFFAOYSA-N 0 0 365.397 1.028 50 70 FDIARN NC(=O)c1ccc(O[C@@H]2CCOC[C@H]2NC(=O)Cc2ccsc2)cc1 ZINC000218473030 527073023 /nfs/dbraw/zinc/07/30/23/527073023.db2.gz BVCNRBIBODGVQG-HZPDHXFCSA-N 0 0 360.435 1.742 50 70 FDIARN O=C(Cc1cnc2ccccn12)N[C@@H]1COCC[C@@H]1OCc1cscn1 ZINC000218522248 527325230 /nfs/dbraw/zinc/32/52/30/527325230.db2.gz VEKWWBUDAMVENX-CVEARBPZSA-N 0 0 372.450 1.824 50 70 FDIARN CC[C@H](O)c1cc2n(n1)CCN(C(=O)CCn1nnc3ccccc31)C2 ZINC000217145892 537452190 /nfs/dbraw/zinc/45/21/90/537452190.db2.gz QHFXMXNSKRNDBZ-KRWDZBQOSA-N 0 0 354.414 1.504 50 70 FDIARN Cc1cc(C(=O)NCc2cc3ccccc3[nH]2)c2c(=O)[nH]c(=O)n(C)c2n1 ZINC000216997261 537452414 /nfs/dbraw/zinc/45/24/14/537452414.db2.gz PPECURYMHCTENZ-UHFFFAOYSA-N 0 0 363.377 1.342 50 70 FDIARN Cc1ccc2oc(=O)n(CCC(=O)N3CCn4nc(CO)cc4C3)c2c1 ZINC000217654518 537455499 /nfs/dbraw/zinc/45/54/99/537455499.db2.gz FVQKAJWAMQJTCM-UHFFFAOYSA-N 0 0 356.382 1.024 50 70 FDIARN COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1cccn(C)c1=O ZINC000217877813 537457026 /nfs/dbraw/zinc/45/70/26/537457026.db2.gz MSYVTVAXYXURHA-WFASDCNBSA-N 0 0 374.368 1.360 50 70 FDIARN COc1cc([C@H](CC(N)=O)c2oc(C)cc(=O)c2O)cc(OC)c1OC ZINC000217782275 537457137 /nfs/dbraw/zinc/45/71/37/537457137.db2.gz LPFSCGFGACZUSO-NSHDSACASA-N 0 0 363.366 1.687 50 70 FDIARN O=C1CSC(=O)N1[C@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000217789709 537457300 /nfs/dbraw/zinc/45/73/00/537457300.db2.gz GXZMPJDZESDQBQ-JTQLQIEISA-N 0 0 360.844 1.798 50 70 FDIARN O=C(c1cccc2c1OCCO2)N1CCn2nc([C@H](O)C3CC3)cc2C1 ZINC000218113336 537459429 /nfs/dbraw/zinc/45/94/29/537459429.db2.gz KGTSIBYCSYTSDA-QGZVFWFLSA-N 0 0 355.394 1.754 50 70 FDIARN O=C(NCCc1nc2ccccc2o1)[C@@H]1Cc2ccccc2S(=O)(=O)N1 ZINC000218038567 537459927 /nfs/dbraw/zinc/45/99/27/537459927.db2.gz WUKCRFVYSJBHDA-AWEZNQCLSA-N 0 0 371.418 1.390 50 70 FDIARN CC(C)C[C@H](NC(=O)CNC(=O)c1cnccn1)c1nc2ccccc2[nH]1 ZINC000218328311 222680392 /nfs/dbraw/zinc/68/03/92/222680392.db2.gz AOFLWTQHGFTCIU-HNNXBMFYSA-N 0 0 366.425 1.986 50 70 FDIARN Cn1cc([C@@H](NC(=O)CCn2c(=O)[nH]c3ccccc32)C2CC(O)C2)cn1 ZINC000218662278 222685262 /nfs/dbraw/zinc/68/52/62/222685262.db2.gz ZNLIATVOULZTRK-WFZFXDGQSA-N 0 0 369.425 1.082 50 70 FDIARN O=C(Cn1c(=O)oc2ccccc21)N[C@@H]1CCCN(c2cnccn2)C1 ZINC000217796784 132272360 /nfs/dbraw/zinc/27/23/60/132272360.db2.gz QSWPPWCUQYMTQR-CYBMUJFWSA-N 0 0 353.382 1.170 50 70 FDIARN CN(C[C@@H]1Cc2ccccc2CN1C)C(=O)CSc1nnc(N)s1 ZINC000217668478 523085036 /nfs/dbraw/zinc/08/50/36/523085036.db2.gz SCOVUEDHYCCWKW-ZDUSSCGKSA-N 0 0 363.512 1.728 50 70 FDIARN COc1ccc(Cn2nc(CC(N)=O)nc2[C@@H](C)Cn2cccn2)cc1 ZINC000217039992 524266146 /nfs/dbraw/zinc/26/61/46/524266146.db2.gz AACLSHXBDBHOOA-ZDUSSCGKSA-N 0 0 354.414 1.363 50 70 FDIARN Cc1cc(C)n(-c2cccc(CN(C)C(=O)Cc3cc(=O)[nH]c(N)n3)c2)n1 ZINC000217206214 524491955 /nfs/dbraw/zinc/49/19/55/524491955.db2.gz RIDOFQMSUGJJSB-UHFFFAOYSA-N 0 0 366.425 1.356 50 70 FDIARN Cc1nc(SCCNC(=O)[C@H](C)Oc2ccc3c(c2)OCO3)n[nH]1 ZINC000218218338 526532099 /nfs/dbraw/zinc/53/20/99/526532099.db2.gz DENAEVCVYPKXKP-VIFPVBQESA-N 0 0 350.400 1.518 50 70 FDIARN NC(=O)C[C@@H](c1ccsc1)c1oc(CN2CCOCC2)cc(=O)c1O ZINC000218552756 526903383 /nfs/dbraw/zinc/90/33/83/526903383.db2.gz QNVUNSGMHASSKL-ZDUSSCGKSA-N 0 0 364.423 1.246 50 70 FDIARN O=C(Cn1cnc2ccsc2c1=O)N[C@H](c1ccccn1)[C@H]1C[C@@H](O)C1 ZINC000218583909 527405232 /nfs/dbraw/zinc/40/52/32/527405232.db2.gz OJXDQOPOYXMBAK-MKBNYLNASA-N 0 0 370.434 1.481 50 70 FDIARN CCCc1cc(N2CCn3nc([C@@H](O)c4nccn4C)cc3C2)nc(C)n1 ZINC000218233430 535400864 /nfs/dbraw/zinc/40/08/64/535400864.db2.gz ADXDXJAYAIQFHD-GOSISDBHSA-N 0 0 367.457 1.769 50 70 FDIARN Cc1ncn(CC(=O)N2CCC3(CC2)OC(=O)c2ccccc23)c(=O)c1C ZINC000217537539 537454964 /nfs/dbraw/zinc/45/49/64/537454964.db2.gz AGEUAZNIVOXKBE-UHFFFAOYSA-N 0 0 367.405 1.548 50 70 FDIARN Cc1noc(-c2c3c(sc2NC(=O)c2ccc(=O)[nH]n2)COCC3)n1 ZINC000217963046 537457690 /nfs/dbraw/zinc/45/76/90/537457690.db2.gz OIZQHZBQPWGMKN-UHFFFAOYSA-N 0 0 359.367 1.515 50 70 FDIARN Cc1cc(C)n(C[C@@H]2CCCO2)c(=O)c1C(=O)NCCCn1ccnc1 ZINC000218597217 537462958 /nfs/dbraw/zinc/46/29/58/537462958.db2.gz SSLGGIDUIXSTJW-INIZCTEOSA-N 0 0 358.442 1.661 50 70 FDIARN COc1ccc([C@@H](NC(=O)c2c(C)cc(C)n(C)c2=O)C2CC(O)C2)cn1 ZINC000218696629 537465727 /nfs/dbraw/zinc/46/57/27/537465727.db2.gz SAOUUTVRGHSDJZ-JTTJXQCZSA-N 0 0 371.437 1.648 50 70 FDIARN CC(=O)c1c(C)nn(CC(=O)N2CCCO[C@H](Cn3cccn3)C2)c1C ZINC000218124334 518237196 /nfs/dbraw/zinc/23/71/96/518237196.db2.gz KXBJKWLCEFOEOI-INIZCTEOSA-N 0 0 359.430 1.217 50 70 FDIARN CCNc1ncc(C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccn2)cn1 ZINC000218185702 520367882 /nfs/dbraw/zinc/36/78/82/520367882.db2.gz LIAZOMKXMOAQIL-HZPDHXFCSA-N 0 0 357.414 1.408 50 70 FDIARN COCCc1noc([C@H]2CCCCN2C(=O)c2[nH]nc(N)c2Cl)n1 ZINC000218362012 522047689 /nfs/dbraw/zinc/04/76/89/522047689.db2.gz DWPVZROGICUWCH-MRVPVSSYSA-N 0 0 354.798 1.585 50 70 FDIARN COC[C@@H]1[C@H](NC(=O)C2CCN(C(=O)c3ccncc3)CC2)[C@@H]2CCO[C@H]12 ZINC000218283777 522516493 /nfs/dbraw/zinc/51/64/93/522516493.db2.gz WWTCBCFRJPBYTO-MLHJIOFPSA-N 0 0 373.453 1.100 50 70 FDIARN COc1ccc(NC(=O)CC[C@@H]2NC(=O)N(Cc3ccco3)C2=O)cn1 ZINC000218149519 524484370 /nfs/dbraw/zinc/48/43/70/524484370.db2.gz KQZAESRSRNYWHD-ZDUSSCGKSA-N 0 0 358.354 1.523 50 70 FDIARN Cc1noc(C)c1C[C@H](C)NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000159905382 524763887 /nfs/dbraw/zinc/76/38/87/524763887.db2.gz RFJVNIFVONSFTA-QMMMGPOBSA-N 0 0 350.400 1.371 50 70 FDIARN O=C(c1cnn(Cc2ccccc2)c1)N1CCCn2nc(CO)cc2C1 ZINC000216915067 526890631 /nfs/dbraw/zinc/89/06/31/526890631.db2.gz NGYDILWLQVLBHW-UHFFFAOYSA-N 0 0 351.410 1.666 50 70 FDIARN NC(=O)c1ccc(O[C@@H]2COCC[C@H]2NC(=O)Cc2cccnc2)cc1 ZINC000218566689 527072081 /nfs/dbraw/zinc/07/20/81/527072081.db2.gz GVLTYDMQAQZLME-IAGOWNOFSA-N 0 0 355.394 1.076 50 70 FDIARN Cn1cc([C@@H](Nc2cncc(C(=O)N3CCCC3)n2)[C@H]2C[C@H](O)C2)cn1 ZINC000218427592 527294859 /nfs/dbraw/zinc/29/48/59/527294859.db2.gz ZHQMTELCGNWWSZ-QEORTHHSSA-N 0 0 356.430 1.370 50 70 FDIARN Cn1ccnc1[C@H](O)c1cc2n(n1)CCN(C(=O)COc1ccccc1)C2 ZINC000218448410 527468010 /nfs/dbraw/zinc/46/80/10/527468010.db2.gz WOYHDPIECCAICR-GOSISDBHSA-N 0 0 367.409 1.120 50 70 FDIARN Cc1cnc2c(Cl)c(C(=O)N3CCCn4nc(CO)cc4C3)nn2c1 ZINC000217031662 537452325 /nfs/dbraw/zinc/45/23/25/537452325.db2.gz HFRKZDVIFSWSFA-UHFFFAOYSA-N 0 0 360.805 1.426 50 70 FDIARN Cc1c(C(=O)N2CCCn3nc([C@@H](C)O)cc3C2)sc2[nH]cnc(=O)c12 ZINC000216942247 537452815 /nfs/dbraw/zinc/45/28/15/537452815.db2.gz QYKZLTNKJRHDCI-SNVBAGLBSA-N 0 0 373.438 1.589 50 70 FDIARN CCOC(=O)Cc1[nH][nH]c(=O)c1[C@H](CC(N)=O)c1cc(F)c(F)c(F)c1 ZINC000218302587 537461887 /nfs/dbraw/zinc/46/18/87/537461887.db2.gz IMJINAGXVCFQOY-MRVPVSSYSA-N 0 0 371.315 1.233 50 70 FDIARN COc1ccc(N2C(=O)N[C@@H](CCC(=O)NCc3cccn3C)C2=O)cc1 ZINC000218599679 537463673 /nfs/dbraw/zinc/46/36/73/537463673.db2.gz SVMXTTUDALIQED-INIZCTEOSA-N 0 0 370.409 1.555 50 70 FDIARN COCCn1c(C)cc(C)c(C(=O)NCCn2cnc3ccccc32)c1=O ZINC000218454416 522061902 /nfs/dbraw/zinc/06/19/02/522061902.db2.gz LLPXARONLQNKJU-UHFFFAOYSA-N 0 0 368.437 1.891 50 70 FDIARN CCc1nc(C)c(CC(=O)N2CCC(c3cc(=O)[nH]c(C)n3)CC2)c(=O)[nH]1 ZINC000218081844 522201320 /nfs/dbraw/zinc/20/13/20/522201320.db2.gz BULHEUFEYYFJNU-UHFFFAOYSA-N 0 0 371.441 1.393 50 70 FDIARN COC(=O)CCNC(=O)Cn1nc(-c2cccc3ccccc32)ccc1=O ZINC000218196557 523096828 /nfs/dbraw/zinc/09/68/28/523096828.db2.gz VVYQZHSYGRSYKU-UHFFFAOYSA-N 0 0 365.389 1.743 50 70 FDIARN COc1ccc(CN2C(=O)N[C@@H](CC(=O)NCc3ccncc3)C2=O)cc1 ZINC000217782027 524020197 /nfs/dbraw/zinc/02/01/97/524020197.db2.gz YEVIRXHOZLOGKA-INIZCTEOSA-N 0 0 368.393 1.217 50 70 FDIARN COc1ccc(N2C(=O)N[C@@H](CC(=O)NCc3cccnc3)C2=O)cc1 ZINC000218446949 524394728 /nfs/dbraw/zinc/39/47/28/524394728.db2.gz BUXHWMUDSMXLLO-HNNXBMFYSA-N 0 0 354.366 1.222 50 70 FDIARN COc1nc2ccccc2nc1CCC(=O)NCCc1csc(N)n1 ZINC000217990347 524989219 /nfs/dbraw/zinc/98/92/19/524989219.db2.gz KHPHITHAKXZABH-UHFFFAOYSA-N 0 0 357.439 1.969 50 70 FDIARN Cc1cc(-c2ccncc2)nn1CCNS(=O)(=O)c1cn(C)c(C)n1 ZINC000217872454 526042937 /nfs/dbraw/zinc/04/29/37/526042937.db2.gz AFCHDQZCHTZVSJ-UHFFFAOYSA-N 0 0 360.443 1.274 50 70 FDIARN Cn1cc(NC(=O)C[C@@H]2NC(=O)N(Cc3ccccc3Cl)C2=O)cn1 ZINC000218402847 527264557 /nfs/dbraw/zinc/26/45/57/527264557.db2.gz FVTWWOIBMQIPHL-ZDUSSCGKSA-N 0 0 361.789 1.523 50 70 FDIARN O=C(Cn1ccc2ccccc21)N1CC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 ZINC000217730873 527381034 /nfs/dbraw/zinc/38/10/34/527381034.db2.gz OANCYRTZNFAPPU-IAGOWNOFSA-N 0 0 363.417 1.803 50 70 FDIARN COc1ccc(Cl)cc1S(=O)(=O)N1CCCn2nc(CO)cc2C1 ZINC000217120628 537451379 /nfs/dbraw/zinc/45/13/79/537451379.db2.gz OMKWIUXLFVNIRO-UHFFFAOYSA-N 0 0 371.846 1.632 50 70 FDIARN O=C(C1=Cc2ccccc2OC=C1)N1CCn2nc([C@@H](O)CO)cc2C1 ZINC000217359475 537453680 /nfs/dbraw/zinc/45/36/80/537453680.db2.gz FOELKYHZBKJMBM-KRWDZBQOSA-N 0 0 353.378 1.241 50 70 FDIARN CN(C)c1nsc(N2CCn3nc([C@@H](O)c4ccccc4)cc3C2)n1 ZINC000217202116 537453916 /nfs/dbraw/zinc/45/39/16/537453916.db2.gz FSMFBYKLSQAWCK-HNNXBMFYSA-N 0 0 356.455 1.903 50 70 FDIARN O=C(CCN1Cc2ccccc2C1=O)N1CCCn2nc(CO)cc2C1 ZINC000217211909 537454432 /nfs/dbraw/zinc/45/44/32/537454432.db2.gz VZZWOSPURLJQQJ-UHFFFAOYSA-N 0 0 354.410 1.154 50 70 FDIARN CSc1ncccc1C(=O)N1CC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 ZINC000217722176 537457382 /nfs/dbraw/zinc/45/73/82/537457382.db2.gz QXRBJXKWWOVPOG-CHWSQXEVSA-N 0 0 357.435 1.579 50 70 FDIARN COc1ccc2c(c1)c(C(=O)NCc1ccc(S(N)(=O)=O)cc1)cn2C ZINC000218214093 537460741 /nfs/dbraw/zinc/46/07/41/537460741.db2.gz LPGZHDUXONMATB-UHFFFAOYSA-N 0 0 373.434 1.764 50 70 FDIARN CC(C)c1cc(C(=O)N2CCN(Cc3ccccc3CO)CC2)nc(N)n1 ZINC000218223437 537461692 /nfs/dbraw/zinc/46/16/92/537461692.db2.gz QMNGZZPMXZMEQW-UHFFFAOYSA-N 0 0 369.469 1.633 50 70 FDIARN CO[C@@H]1CCOC[C@H]1NS(=O)(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC000218462027 537463874 /nfs/dbraw/zinc/46/38/74/537463874.db2.gz WOWSSYHMGBFMNN-CHWSQXEVSA-N 0 0 372.468 1.203 50 70 FDIARN CC[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1nnc3n1CCCCC3)C2 ZINC000216923734 568154772 /nfs/dbraw/zinc/15/47/72/568154772.db2.gz SFMKGHVEIWGJTO-OAHLLOKOSA-N 0 0 358.446 1.691 50 70 FDIARN C[C@@H](Cc1cccnc1)NC(=O)c1ccccc1N1CCS(=O)(=O)CC1 ZINC000218528511 132273219 /nfs/dbraw/zinc/27/32/19/132273219.db2.gz DNBLKQOVBCBWFS-HNNXBMFYSA-N 0 0 373.478 1.677 50 70 FDIARN COC(=O)c1ccc(S(=O)(=O)NCC[C@@H](O)c2cccn2C)cc1 ZINC000217943983 522157731 /nfs/dbraw/zinc/15/77/31/522157731.db2.gz BBBTZNQEPWMSEX-OAHLLOKOSA-N 0 0 352.412 1.214 50 70 FDIARN CCc1nc(C)ccc1OCC(=O)N1CCN(Cc2nccn2C)CC1 ZINC000217779313 522241186 /nfs/dbraw/zinc/24/11/86/522241186.db2.gz IVPPZWHMSSIXBI-UHFFFAOYSA-N 0 0 357.458 1.409 50 70 FDIARN CN(C)C(=O)C[C@H](O)c1cc2n(n1)CCN(C(=O)Cc1ccsc1)C2 ZINC000218203072 523998117 /nfs/dbraw/zinc/99/81/17/523998117.db2.gz YGDQNUGLHOSSPS-HNNXBMFYSA-N 0 0 362.455 1.041 50 70 FDIARN COc1ccc(NC(=O)C[C@@H]2NC(=O)N(Cc3cccc(F)c3)C2=O)cn1 ZINC000218245650 524519624 /nfs/dbraw/zinc/51/96/24/524519624.db2.gz HDMNPKMVZDPYCF-AWEZNQCLSA-N 0 0 372.356 1.679 50 70 FDIARN CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000160555334 524915232 /nfs/dbraw/zinc/91/52/32/524915232.db2.gz JZOGSNYYVVQHNO-NWJSVONSSA-N 0 0 372.437 1.902 50 70 FDIARN CS(=O)(=O)c1ccc(CC(=O)NCc2nnc(-c3ccccc3)o2)cc1 ZINC000217763404 525245646 /nfs/dbraw/zinc/24/56/46/525245646.db2.gz BUMLSUQZLJMQKV-UHFFFAOYSA-N 0 0 371.418 1.999 50 70 FDIARN COc1ccc2nnc(CCCC(=O)N[C@H](CO)Cc3ccccc3)n2n1 ZINC000218241884 525682731 /nfs/dbraw/zinc/68/27/31/525682731.db2.gz OBBSWFYBJPMMSW-HNNXBMFYSA-N 0 0 369.425 1.175 50 70 FDIARN O=C(CCCc1nc(-c2cccnc2)no1)NCc1nnc2n1CCC2 ZINC000218207124 526464181 /nfs/dbraw/zinc/46/41/81/526464181.db2.gz IPMPECDWVSIBKH-UHFFFAOYSA-N 0 0 353.386 1.308 50 70 FDIARN O=C(CCn1cnnn1)N1CCCN(c2nc3ccccc3s2)CC1 ZINC000216915431 526688133 /nfs/dbraw/zinc/68/81/33/526688133.db2.gz COLLNJAVDJXBHX-UHFFFAOYSA-N 0 0 357.443 1.412 50 70 FDIARN O=C(CN1CCc2ccccc2C1)NCCc1noc([C@@H]2CCCO2)n1 ZINC000217514573 526813250 /nfs/dbraw/zinc/81/32/50/526813250.db2.gz IYBGHNGEVVTBPC-INIZCTEOSA-N 0 0 356.426 1.638 50 70 FDIARN O=C(NCc1nnnn1-c1ccccc1)c1cccc(N2CCOCC2)c1 ZINC000217353143 526840886 /nfs/dbraw/zinc/84/08/86/526840886.db2.gz BJGAUNOVNIFKIF-UHFFFAOYSA-N 0 0 364.409 1.429 50 70 FDIARN O=C(Cn1nnc(-c2ccc(F)cc2)n1)NCCc1cn2ccsc2n1 ZINC000218506466 527428375 /nfs/dbraw/zinc/42/83/75/527428375.db2.gz WCWRKOUFNAHPNV-UHFFFAOYSA-N 0 0 371.401 1.547 50 70 FDIARN Cc1ncsc1CCCNC(=O)[C@H](Cc1ccccc1)n1cnnn1 ZINC000218366714 527484703 /nfs/dbraw/zinc/48/47/03/527484703.db2.gz RHPHUUFWUVWORY-HNNXBMFYSA-N 0 0 356.455 1.971 50 70 FDIARN Nc1nnc(SCC(=O)NCCc2nc(-c3cccnc3)no2)s1 ZINC000217198843 527578302 /nfs/dbraw/zinc/57/83/02/527578302.db2.gz IUWHCJIIDDBGGC-UHFFFAOYSA-N 0 0 363.428 1.016 50 70 FDIARN COc1ccccc1N1CCN(C(=O)CN2CCC[C@@H](O)C2)CC1(C)C ZINC000216837550 537064371 /nfs/dbraw/zinc/06/43/71/537064371.db2.gz AJIQIDSQUUZZPL-MRXNPFEDSA-N 0 0 361.486 1.579 50 70 FDIARN O=C(C[C@@H]1C=CS(=O)(=O)C1)N1CCN(c2nc3ccccc3o2)CC1 ZINC000217090225 537453019 /nfs/dbraw/zinc/45/30/19/537453019.db2.gz PPKRPGQFLUXPMT-ZDUSSCGKSA-N 0 0 361.423 1.425 50 70 FDIARN CSc1ncccc1C(=O)NC1C[C@H]2CC[C@@H](C1)N2S(C)(=O)=O ZINC000217676726 537455513 /nfs/dbraw/zinc/45/55/13/537455513.db2.gz JWIVUYCFNOTBEP-YOGCLGLASA-N 0 0 355.485 1.488 50 70 FDIARN O=S(=O)(N[C@@H]1COCC[C@@H]1OCc1cscn1)N1CCCCC1 ZINC000218564990 537462746 /nfs/dbraw/zinc/46/27/46/537462746.db2.gz ZYUSLHFVEUYGEF-KGLIPLIRSA-N 0 0 361.489 1.138 50 70 FDIARN O=c1cc(CO)oc(CN2CCC(c3nnc4ccccn43)CC2)c1O ZINC000218614799 537463963 /nfs/dbraw/zinc/46/39/63/537463963.db2.gz HELNJEJRTPKWBL-UHFFFAOYSA-N 0 0 356.382 1.260 50 70 FDIARN Cc1cccc2ncc(C(=O)N[C@@H]3CCOC[C@H]3OCC3CC3)c(=O)n12 ZINC000218712990 537466087 /nfs/dbraw/zinc/46/60/87/537466087.db2.gz SUPAKZAJCJCNHB-HZPDHXFCSA-N 0 0 357.410 1.317 50 70 FDIARN C[C@@H](Cn1cccn1)C(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000218782605 537467920 /nfs/dbraw/zinc/46/79/20/537467920.db2.gz DOAHJTGUHRRRGV-JTQLQIEISA-N 0 0 374.392 1.738 50 70 FDIARN CC[C@H](O)c1cc2n(n1)CCN(C(=O)c1nc(N)nc3c1CCCC3)C2 ZINC000217456551 568184943 /nfs/dbraw/zinc/18/49/43/568184943.db2.gz QFZOJFRMRSABDU-HNNXBMFYSA-N 0 0 356.430 1.234 50 70 FDIARN COc1nc2ccccc2nc1CCC(=O)NCc1nnc2n1CCC2 ZINC000218565091 222684050 /nfs/dbraw/zinc/68/40/50/222684050.db2.gz MQOXVSZWFLAIKH-UHFFFAOYSA-N 0 0 352.398 1.425 50 70 FDIARN O=C(N[C@H]1CC(=O)N(c2ccc(F)cc2)C1)c1nnc2n1CCCCC2 ZINC000218738934 222687473 /nfs/dbraw/zinc/68/74/73/222687473.db2.gz PJUNYVDHAUWENP-ZDUSSCGKSA-N 0 0 357.389 1.679 50 70 FDIARN O=C(CN1CCN(c2ccccn2)CC1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000161441206 132261012 /nfs/dbraw/zinc/26/10/12/132261012.db2.gz IYVUNQUCCUJMDR-GOSISDBHSA-N 0 0 367.453 1.279 50 70 FDIARN CC(=O)c1[nH]c(C)c(C(=O)N2CCN(c3ccnc4nncn43)CC2)c1C ZINC000217197233 132271961 /nfs/dbraw/zinc/27/19/61/132271961.db2.gz HPTYLFOMKJEBHF-UHFFFAOYSA-N 0 0 367.413 1.234 50 70 FDIARN O=C(c1ccccc1N1CCOCC1)N1CCCO[C@H](Cn2cccn2)C1 ZINC000217347030 132272081 /nfs/dbraw/zinc/27/20/81/132272081.db2.gz ZUGPAAFBBGJTQR-KRWDZBQOSA-N 0 0 370.453 1.651 50 70 FDIARN CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)CSc1nc(C)cc(=O)[nH]1 ZINC000218235503 519438746 /nfs/dbraw/zinc/43/87/46/519438746.db2.gz NTEIDLCBWRNYGV-KGLIPLIRSA-N 0 0 367.471 1.427 50 70 FDIARN COCCc1noc(CN2CCc3nc(-c4ccc(OC)nc4)[nH]c3C2)n1 ZINC000218197600 522042962 /nfs/dbraw/zinc/04/29/62/522042962.db2.gz UNWRHVJDORXIEY-UHFFFAOYSA-N 0 0 370.413 1.611 50 70 FDIARN COC(=O)c1ccc(S(=O)(=O)NCC[C@H](O)c2cccn2C)cc1 ZINC000217944079 522155297 /nfs/dbraw/zinc/15/52/97/522155297.db2.gz BBBTZNQEPWMSEX-HNNXBMFYSA-N 0 0 352.412 1.214 50 70 FDIARN COC(=O)C[C@@H](c1cccnc1)c1oc(CN2CCOCC2)cc(=O)c1O ZINC000217841319 523279618 /nfs/dbraw/zinc/27/96/18/523279618.db2.gz XUJSRGIHZSWGGO-HNNXBMFYSA-N 0 0 374.393 1.268 50 70 FDIARN CCc1ccc(C(=O)N[C@H]2C[C@H](c3cc(N4CC[C@H](O)C4)ncn3)C2)[nH]1 ZINC000218352478 523894922 /nfs/dbraw/zinc/89/49/22/523894922.db2.gz QUWOTNXZJYLONE-CFVMTHIKSA-N 0 0 355.442 1.614 50 70 FDIARN Cc1cccc(=O)n1CCCNC(=O)CN1CCOc2ccccc2C1 ZINC000216965656 524156265 /nfs/dbraw/zinc/15/62/65/524156265.db2.gz PKHPQBYPUPUZGU-UHFFFAOYSA-N 0 0 355.438 1.558 50 70 FDIARN CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)Cc1c(F)cccc1Cl ZINC000160313947 524856957 /nfs/dbraw/zinc/85/69/57/524856957.db2.gz PRMRCDRCOLJBSA-YGRLFVJLSA-N 0 0 362.854 1.856 50 70 FDIARN CS(=O)(=O)Nc1cccc2c1ccn2CC(=O)NCCc1ccco1 ZINC000218198464 525226263 /nfs/dbraw/zinc/22/62/63/525226263.db2.gz CHISKMFGNOEPRQ-UHFFFAOYSA-N 0 0 361.423 1.965 50 70 FDIARN Cc1ccccc1OC[C@H](O)C(=O)NCCc1noc(C(F)(F)F)n1 ZINC000217178511 525312241 /nfs/dbraw/zinc/31/22/41/525312241.db2.gz GVPJKNVBLUAGET-JTQLQIEISA-N 0 0 359.304 1.495 50 70 FDIARN CSCc1ccc(C(=O)NC2CCN(C(=O)N3CCOCC3)CC2)o1 ZINC000217407007 525725768 /nfs/dbraw/zinc/72/57/68/525725768.db2.gz YPFRUEWQYPCELE-UHFFFAOYSA-N 0 0 367.471 1.789 50 70 FDIARN Cc1noc(C)c1CO[C@H]1CCOC[C@H]1NC(=O)Cc1c(C)noc1C ZINC000218278227 526519427 /nfs/dbraw/zinc/51/94/27/526519427.db2.gz PWVXETPRIFMXGO-SJORKVTESA-N 0 0 363.414 1.929 50 70 FDIARN O=C(Cn1ccc(=O)[nH]c1=O)NCc1cc(COc2ccccc2)cs1 ZINC000217417873 527374427 /nfs/dbraw/zinc/37/44/27/527374427.db2.gz GTEACKNOOOTKHD-UHFFFAOYSA-N 0 0 371.418 1.494 50 70 FDIARN Cc1ccc2[nH]c([C@@H](NC(=O)c3c[nH]c4ncnn4c3=O)C(C)C)nc2c1 ZINC000217104103 537452709 /nfs/dbraw/zinc/45/27/09/537452709.db2.gz VYDIASCSDJGTGC-AWEZNQCLSA-N 0 0 365.397 1.729 50 70 FDIARN COCc1noc(CCNC(=O)[C@@H]2CC(=O)N(c3cccc(F)c3)C2)n1 ZINC000218595183 537462910 /nfs/dbraw/zinc/46/29/10/537462910.db2.gz QEKXFGGHBOMUTF-LLVKDONJSA-N 0 0 362.361 1.067 50 70 FDIARN CCOC(=O)Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1ccc(SC)cc1 ZINC000218321718 537464025 /nfs/dbraw/zinc/46/40/25/537464025.db2.gz WAQVIXPVGHULDH-LBPRGKRZSA-N 0 0 363.439 1.538 50 70 FDIARN CC(C)[C@H]1C(=O)NCCN1Cc1ccccc1OCCN1CCOCC1 ZINC000218688787 222686359 /nfs/dbraw/zinc/68/63/59/222686359.db2.gz LGRBNQVZVLFXKG-IBGZPJMESA-N 0 0 361.486 1.354 50 70 FDIARN Cc1n[nH]c(C)c1[C@@H](C)NC(=O)c1ccccc1N1CCC(=O)NC1=O ZINC000217381418 132271993 /nfs/dbraw/zinc/27/19/93/132271993.db2.gz PRFKBBGQFUEDEI-SNVBAGLBSA-N 0 0 355.398 1.964 50 70 FDIARN OCc1cc2n(n1)CCN(c1cc(C(F)(F)F)nc(N3CCCC3)n1)C2 ZINC000217208695 132272106 /nfs/dbraw/zinc/27/21/06/132272106.db2.gz NPMIDTGBCPFPOZ-UHFFFAOYSA-N 0 0 368.363 1.805 50 70 FDIARN COCCn1c(C)cc(C)c(C(=O)NCCc2nnc3ccccn32)c1=O ZINC000218506825 522062134 /nfs/dbraw/zinc/06/21/34/522062134.db2.gz HAULMSUJJWDGAO-UHFFFAOYSA-N 0 0 369.425 1.127 50 70 FDIARN COCCn1c(C)cc(C)c(C(=O)NCc2nc(-c3ccco3)no2)c1=O ZINC000218564108 522062191 /nfs/dbraw/zinc/06/21/91/522062191.db2.gz WARIUZVNJZVSAG-UHFFFAOYSA-N 0 0 372.381 1.685 50 70 FDIARN Cc1cccc(CCN2CCn3nc([C@@H](O)c4nccn4C)cc3C2)n1 ZINC000218454374 524353946 /nfs/dbraw/zinc/35/39/46/524353946.db2.gz WHQVLKUUUGHEON-GOSISDBHSA-N 0 0 352.442 1.460 50 70 FDIARN Cc1cc(C)n(CCNC(=O)CC[C@@H]2NC(=O)N(c3ccccc3)C2=O)n1 ZINC000218542028 524528776 /nfs/dbraw/zinc/52/87/76/524528776.db2.gz FYSMRLJKMHPPBZ-INIZCTEOSA-N 0 0 369.425 1.521 50 70 FDIARN CC(C)c1ncc(C(=O)N2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)s1 ZINC000161426665 525107339 /nfs/dbraw/zinc/10/73/39/525107339.db2.gz LCNCSZJAIRBSNH-UHFFFAOYSA-N 0 0 360.439 1.553 50 70 FDIARN O=C(CC1=CSC2=NCCCN12)N1CCC(O)(c2cccnc2)CC1 ZINC000218278052 526340206 /nfs/dbraw/zinc/34/02/06/526340206.db2.gz HHPLIIMBYKVOQD-UHFFFAOYSA-N 0 0 358.467 1.932 50 70 FDIARN O=C(CCN1Cc2ccccc2C1=O)N[C@H]1CCCN(c2cnccn2)C1 ZINC000217345254 526495917 /nfs/dbraw/zinc/49/59/17/526495917.db2.gz ZFHZNFIKKZVCDX-INIZCTEOSA-N 0 0 365.437 1.608 50 70 FDIARN O=C(CCOc1ccccc1)N[C@H]1C[C@@H](c2nnc(CO)n2C2CC2)C1 ZINC000218150994 526532249 /nfs/dbraw/zinc/53/22/49/526532249.db2.gz OECYKDOJCQQBOP-HDJSIYSDSA-N 0 0 356.426 1.937 50 70 FDIARN Cc1nc(S(=O)(=O)N2CCC[C@@H](Cc3nc(C4CC4)no3)C2)cn1C ZINC000217825100 527008617 /nfs/dbraw/zinc/00/86/17/527008617.db2.gz CNVBKLKPQDTXPH-LBPRGKRZSA-N 0 0 365.459 1.632 50 70 FDIARN O=C(c1ccc2ncsc2c1)N1CCCn2nc([C@@H](O)CO)cc2C1 ZINC000217152357 537452836 /nfs/dbraw/zinc/45/28/36/537452836.db2.gz WTHSNBLPUOVAHU-HNNXBMFYSA-N 0 0 358.423 1.565 50 70 FDIARN O=C(c1cccs1)N1CCC([N@@H+]2CCCn3nc(CO)cc3C2)CC1 ZINC000217608632 537455813 /nfs/dbraw/zinc/45/58/13/537455813.db2.gz OUJAUWUFWCOKLM-UHFFFAOYSA-N 0 0 360.483 1.947 50 70 FDIARN Cc1ccn2cc(CNC(=O)[C@H]3Cc4ccccc4S(=O)(=O)N3)nc2c1 ZINC000217907510 537456463 /nfs/dbraw/zinc/45/64/63/537456463.db2.gz QHGUQLDSLXOAQG-OAHLLOKOSA-N 0 0 370.434 1.162 50 70 FDIARN Cc1nc(=O)[nH]c(C)c1CCC(=O)N1CCCn2nc([C@H](C)O)cc2C1 ZINC000217861172 537456998 /nfs/dbraw/zinc/45/69/98/537456998.db2.gz RHZYLKOTORMQOB-ZDUSSCGKSA-N 0 0 359.430 1.414 50 70 FDIARN Cc1c(CN2CCc3nc(-c4ccc(C(N)=O)cc4)[nH]c3C2)cnn1C ZINC000218275229 537461178 /nfs/dbraw/zinc/46/11/78/537461178.db2.gz BNCHQIUPHWOALX-UHFFFAOYSA-N 0 0 350.426 1.776 50 70 FDIARN Cc1cc(O)cc(=O)n1CCC(=O)Nc1ccc2ncn(C)c(=O)c2c1 ZINC000218340333 537463707 /nfs/dbraw/zinc/46/37/07/537463707.db2.gz PUHOCBUJEITEEH-UHFFFAOYSA-N 0 0 354.366 1.138 50 70 FDIARN O=C(NCc1cnn2cccnc12)c1ccc(CSc2nc[nH]n2)o1 ZINC000218691829 537464952 /nfs/dbraw/zinc/46/49/52/537464952.db2.gz YHQQJSWESJLUCV-UHFFFAOYSA-N 0 0 355.383 1.663 50 70 FDIARN O=C(CN1CCC[C@@H](O)C1)NCCCc1nc2cc(Cl)ccc2[nH]1 ZINC000218699647 537465044 /nfs/dbraw/zinc/46/50/44/537465044.db2.gz NWWVUFREQUZZQV-CYBMUJFWSA-N 0 0 350.850 1.722 50 70 FDIARN Cc1cccnc1CN1CCN(C(=O)CCN2CCCCCC2=O)CC1 ZINC000218766984 537467031 /nfs/dbraw/zinc/46/70/31/537467031.db2.gz FBQOYJXXAQHRFP-UHFFFAOYSA-N 0 0 358.486 1.827 50 70 FDIARN Cc1noc(C)c1CC(=O)N[C@@H]1CCOC[C@H]1OCc1cscn1 ZINC000218757198 537467109 /nfs/dbraw/zinc/46/71/09/537467109.db2.gz BIQUKVURLLEWMM-HUUCEWRRSA-N 0 0 351.428 1.781 50 70 FDIARN Cc1ncc(C(=O)N2CCC[C@H](c3nc(-c4cccnc4)no3)C2)c(=O)[nH]1 ZINC000218678618 222686629 /nfs/dbraw/zinc/68/66/29/222686629.db2.gz NKMJMKQJTPLIFX-ZDUSSCGKSA-N 0 0 366.381 1.543 50 70 FDIARN Cc1cc(C)n(CCCNC(=O)c2ccccc2N2CCC(=O)NC2=O)n1 ZINC000217086419 132272060 /nfs/dbraw/zinc/27/20/60/132272060.db2.gz GYYMBVSGLOZVRF-UHFFFAOYSA-N 0 0 369.425 1.766 50 70 FDIARN O=C(c1ccc2[nH]cnc2c1)N1Cc2cnc(N3CCOCC3)nc2C1 ZINC000217612216 132272260 /nfs/dbraw/zinc/27/22/60/132272260.db2.gz PZADISSCSKBHCZ-UHFFFAOYSA-N 0 0 350.382 1.346 50 70 FDIARN Cc1cccc(N2CCN(C(=O)NC[C@H]3CCCS3(=O)=O)CC2)c1C ZINC000159867187 173691684 /nfs/dbraw/zinc/69/16/84/173691684.db2.gz FGKZERBRVZBIME-MRXNPFEDSA-N 0 0 365.499 1.712 50 70 FDIARN CC(C)(Oc1ccc2c(c1)CCC2)C(=O)N1CCN(Cc2nc[nH]n2)CC1 ZINC000218438086 519379878 /nfs/dbraw/zinc/37/98/78/519379878.db2.gz WGCZMMGHFFOTPT-UHFFFAOYSA-N 0 0 369.469 1.795 50 70 FDIARN CC[C@@H](C)[C@@H](CO)NC(=O)C[C@@H]1NC(=O)N(CCc2ccccc2)C1=O ZINC000217892217 522300778 /nfs/dbraw/zinc/30/07/78/522300778.db2.gz NUEVDVDBVVCZGG-VNQPRFMTSA-N 0 0 361.442 1.063 50 70 FDIARN CN(C)c1nsc(N[C@@H]2COCC[C@H]2Oc2ccc(CO)cc2)n1 ZINC000218232303 522406995 /nfs/dbraw/zinc/40/69/95/522406995.db2.gz GBRXYPMTPZINGW-ZIAGYGMSSA-N 0 0 350.444 1.745 50 70 FDIARN Cc1cc(C)n(CCNC(=O)C[C@@H]2NC(=O)N(Cc3ccccc3)C2=O)n1 ZINC000218173241 524529276 /nfs/dbraw/zinc/52/92/76/524529276.db2.gz MRLCXRIVSZFLQI-INIZCTEOSA-N 0 0 369.425 1.127 50 70 FDIARN COCCC1(C(=O)N2CCN(C(=O)c3ccc4[nH]cnc4c3)CC2)CC1 ZINC000160141873 524818315 /nfs/dbraw/zinc/81/83/15/524818315.db2.gz JXFDJFYVRSWNNI-UHFFFAOYSA-N 0 0 356.426 1.664 50 70 FDIARN COc1ccc(OC)c(S(=O)(=O)NCC[C@H](O)C2CCOCC2)c1 ZINC000217925275 524877211 /nfs/dbraw/zinc/87/72/11/524877211.db2.gz DTYUOIXKJQLIAR-AWEZNQCLSA-N 0 0 359.444 1.160 50 70 FDIARN Cc1cc(F)ccc1S(=O)(=O)NCC(=O)NCCCc1ccccn1 ZINC000218075330 525001073 /nfs/dbraw/zinc/00/10/73/525001073.db2.gz XWIYGINXUGLEFG-UHFFFAOYSA-N 0 0 365.430 1.556 50 70 FDIARN O=C(COc1ncnc2ccccc21)N1CCC[C@@]2(CNC(=O)O2)CC1 ZINC000217776655 527004068 /nfs/dbraw/zinc/00/40/68/527004068.db2.gz KZQODPCCLYBRJT-SFHVURJKSA-N 0 0 356.382 1.500 50 70 FDIARN Cn1c(CNC(=O)COc2ccc(-n3cnnn3)cc2)nc2ccccc21 ZINC000217916027 527059366 /nfs/dbraw/zinc/05/93/66/527059366.db2.gz CMDUKGGJPZPNEX-UHFFFAOYSA-N 0 0 363.381 1.244 50 70 FDIARN Cn1cccc1[C@@H](O)CCNC(=O)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000217948702 527402202 /nfs/dbraw/zinc/40/22/02/527402202.db2.gz TWRFDXGIOVLRQF-AWEZNQCLSA-N 0 0 353.781 1.996 50 70 FDIARN C[C@H](O)c1cc2n(n1)CCCN(C(=O)CCc1cn3ccccc3n1)C2 ZINC000217164915 537453762 /nfs/dbraw/zinc/45/37/62/537453762.db2.gz DWWSYGGJEVCMIH-AWEZNQCLSA-N 0 0 353.426 1.949 50 70 FDIARN CC(C)[C@H](NC(=O)CCNC(=O)c1cnccn1)c1nc2ccccc2[nH]1 ZINC000218610184 537462767 /nfs/dbraw/zinc/46/27/67/537462767.db2.gz JWTLRVGVFMCHOX-KRWDZBQOSA-N 0 0 366.425 1.986 50 70 FDIARN CC(C)(O)CCc1cccc(C(=O)N[C@@H]2CCOC[C@H]2OCCO)c1 ZINC000218491916 537463812 /nfs/dbraw/zinc/46/38/12/537463812.db2.gz HYNDPUDJCQHFAO-IAGOWNOFSA-N 0 0 351.443 1.286 50 70 FDIARN Cc1nc2ncccn2c1C(=O)N[C@H](Cc1ccncc1)[C@H]1C[C@@H](O)C1 ZINC000218598277 537463930 /nfs/dbraw/zinc/46/39/30/537463930.db2.gz NMBONOVMTZIFHM-BZUAXINKSA-N 0 0 351.410 1.545 50 70 FDIARN O=C(N[C@@H]1COCC[C@@H]1Oc1cccc(F)c1)c1cc2ncccn2n1 ZINC000218552806 206371524 /nfs/dbraw/zinc/37/15/24/206371524.db2.gz JKKGFNBHOOLJFV-CVEARBPZSA-N 0 0 356.357 1.835 50 70 FDIARN Cc1cc(CNC(=O)c2ccc3c(c2)nc(N2CC[C@H](O)C2)n3C)[nH]n1 ZINC000218637684 206372009 /nfs/dbraw/zinc/37/20/09/206372009.db2.gz YDJDFFPKUGEOMX-AWEZNQCLSA-N 0 0 354.414 1.106 50 70 FDIARN COc1cc(Cl)c(S(=O)(=O)N[C@@H]2CCOC[C@H]2O)cc1Cl ZINC000218587660 206372342 /nfs/dbraw/zinc/37/23/42/206372342.db2.gz BOILBENIAIQREV-NXEZZACHSA-N 0 0 356.227 1.430 50 70 FDIARN Cn1nccc1[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1cccc(F)c1)C2 ZINC000218708560 206373614 /nfs/dbraw/zinc/37/36/14/206373614.db2.gz PWFXIABEEADTGQ-SFHVURJKSA-N 0 0 369.400 1.884 50 70 FDIARN O=C(c1ccccc1Cl)N1CCC(C(=O)N2CCNC(=O)CC2)CC1 ZINC000217522636 206364338 /nfs/dbraw/zinc/36/43/38/206364338.db2.gz GTUUEEDUPUXEGP-UHFFFAOYSA-N 0 0 363.845 1.541 50 70 FDIARN Cc1ncc(Cl)c(C(=O)N[C@@H]2COCC[C@@H]2OCc2cscn2)n1 ZINC000218125843 206366782 /nfs/dbraw/zinc/36/67/82/206366782.db2.gz PTFFPWANPRQPOK-OLZOCXBDSA-N 0 0 368.846 1.999 50 70 FDIARN O=C(c1ccccc1N1CCOCC1)N1CCCO[C@@H](Cn2cccn2)C1 ZINC000217346941 132271968 /nfs/dbraw/zinc/27/19/68/132271968.db2.gz ZUGPAAFBBGJTQR-QGZVFWFLSA-N 0 0 370.453 1.651 50 70 FDIARN CSc1ncccc1C(=O)N1CCN(c2ccc3nccn3n2)CC1 ZINC000217075856 132272009 /nfs/dbraw/zinc/27/20/09/132272009.db2.gz JCXXGYKGWQCWLM-UHFFFAOYSA-N 0 0 354.439 1.809 50 70 FDIARN COC(=O)CC1CCN(C(=O)COc2ccc(-c3nnn(C)n3)cc2)CC1 ZINC000218306542 522935232 /nfs/dbraw/zinc/93/52/32/522935232.db2.gz JGAPZGBZXQMLLA-UHFFFAOYSA-N 0 0 373.413 1.058 50 70 FDIARN Cc1cccc(=O)n1CCC(=O)N1CCn2nc([C@@H](O)C3CC3)cc2C1 ZINC000218078303 524154907 /nfs/dbraw/zinc/15/49/07/524154907.db2.gz NTFITCARSZIUIB-IBGZPJMESA-N 0 0 356.426 1.229 50 70 FDIARN Cc1cc(CC(=O)N2CCn3nc([C@H](O)c4ccccc4)cc3C2)on1 ZINC000217629513 524618413 /nfs/dbraw/zinc/61/84/13/524618413.db2.gz IXVCCMQUHDOFPD-LJQANCHMSA-N 0 0 352.394 1.846 50 70 FDIARN Cn1c(=O)oc2cc(NC(=O)N3CCCN(CC(F)F)CC3)ccc21 ZINC000161192468 525051869 /nfs/dbraw/zinc/05/18/69/525051869.db2.gz HUOMCFCVLXRMFN-UHFFFAOYSA-N 0 0 354.357 1.936 50 70 FDIARN Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1cccc(OCc2ccccn2)c1 ZINC000218344043 525400454 /nfs/dbraw/zinc/40/04/54/525400454.db2.gz XXYNVIMNHLTYGV-INIZCTEOSA-N 0 0 352.394 1.993 50 70 FDIARN O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2Cl)C1=O)Nc1nc[nH]n1 ZINC000218395488 526562049 /nfs/dbraw/zinc/56/20/49/526562049.db2.gz FLGXUMZAVBBJNG-NSHDSACASA-N 0 0 362.777 1.297 50 70 FDIARN O=C(CCc1c[nH]c2ccccc12)N1CCn2nc([C@H](O)CO)cc2C1 ZINC000216911842 526578908 /nfs/dbraw/zinc/57/89/08/526578908.db2.gz SFRWAJRIYRLARI-GOSISDBHSA-N 0 0 354.410 1.365 50 70 FDIARN O=C(Cn1cnc2ccccc2c1=O)NCCc1noc(C(F)(F)F)n1 ZINC000217653404 527403356 /nfs/dbraw/zinc/40/33/56/527403356.db2.gz AORXGVGWLIKELJ-UHFFFAOYSA-N 0 0 367.287 1.157 50 70 FDIARN O=C(NCCc1noc(C(F)(F)F)n1)c1cccc(N2CCOCC2)c1 ZINC000217105094 537452667 /nfs/dbraw/zinc/45/26/67/537452667.db2.gz MOAGFTURDTXZTB-UHFFFAOYSA-N 0 0 370.331 1.898 50 70 FDIARN COCc1noc(CCNC(=O)[C@H]2CC(=O)N(c3cccc(F)c3)C2)n1 ZINC000218595251 206371228 /nfs/dbraw/zinc/37/12/28/206371228.db2.gz QEKXFGGHBOMUTF-NSHDSACASA-N 0 0 362.361 1.067 50 70 FDIARN O=C(CNS(=O)(=O)c1cccs1)NCc1cnc2ccccc2c1 ZINC000218633386 206371707 /nfs/dbraw/zinc/37/17/07/206371707.db2.gz DIBPCHMRDSNQOY-UHFFFAOYSA-N 0 0 361.448 1.891 50 70 FDIARN O=C(CN1CCCCCC1=O)N[C@H]1C[C@@H](c2cc(=O)[nH]c(C3CC3)n2)C1 ZINC000218734742 206373736 /nfs/dbraw/zinc/37/37/36/206373736.db2.gz MLWVZTBOTBVVKY-HDJSIYSDSA-N 0 0 358.442 1.412 50 70 FDIARN Cc1cc(=O)c2cccc(C(=O)N3CCn4nc([C@@H](C)O)cc4C3)c2[nH]1 ZINC000216989406 206360532 /nfs/dbraw/zinc/36/05/32/206360532.db2.gz XZFCFIDLGDJHAY-GFCCVEGCSA-N 0 0 352.394 1.742 50 70 FDIARN Cn1ccnc1CN1CCN(C(=O)c2ccccc2OC(F)F)CC1 ZINC000217607786 206364280 /nfs/dbraw/zinc/36/42/80/206364280.db2.gz GERQKCRJRRQFIR-UHFFFAOYSA-N 0 0 350.369 1.980 50 70 FDIARN C[C@H](O)c1cc2n(n1)CCCN(C(=O)Cn1cnc3ccsc3c1=O)C2 ZINC000217555299 206364313 /nfs/dbraw/zinc/36/43/13/206364313.db2.gz YJYLESQBCYBSMS-NSHDSACASA-N 0 0 373.438 1.140 50 70 FDIARN O=C(NCC[N@@H+]1CCc2ccccc2C1)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC000218276903 206368440 /nfs/dbraw/zinc/36/84/40/206368440.db2.gz VHZYVOOAZUJKGR-UHFFFAOYSA-N 0 0 362.433 1.954 50 70 FDIARN Cn1nc2n(c1=O)C[C@@H](C(=O)N1CCCN(c3ccc(F)cc3)CC1)CC2 ZINC000218368865 206370388 /nfs/dbraw/zinc/37/03/88/206370388.db2.gz XOYYMJJRJWSQGT-AWEZNQCLSA-N 0 0 373.432 1.022 50 70 FDIARN O=C(N[C@H]1CCOC2(CCOCC2)C1)c1ccccc1N1CCOCC1 ZINC000217679244 132272493 /nfs/dbraw/zinc/27/24/93/132272493.db2.gz HWQJJHMIJQYROI-INIZCTEOSA-N 0 0 360.454 1.981 50 70 FDIARN O=C(Cn1cnc2ccccc21)N1Cc2cnc(N3CCOCC3)nc2C1 ZINC000217613224 132272511 /nfs/dbraw/zinc/27/25/11/132272511.db2.gz FVTMSFKLCQZZPP-UHFFFAOYSA-N 0 0 364.409 1.205 50 70 FDIARN COc1ccnc(N2CCN(C(=O)CCn3cnc4ccccc43)CC2)n1 ZINC000217749813 524841186 /nfs/dbraw/zinc/84/11/86/524841186.db2.gz LHFLDGAVVSCTGH-UHFFFAOYSA-N 0 0 366.425 1.574 50 70 FDIARN CSCC[C@@H](CO)NC(=O)C1CCN(c2ccc(Cl)nn2)CC1 ZINC000218201382 525527992 /nfs/dbraw/zinc/52/79/92/525527992.db2.gz RNJZYNBGHSONFO-LBPRGKRZSA-N 0 0 358.895 1.577 50 70 FDIARN C[C@@H](O)c1cc2n(n1)CCN(C(=O)COc1ncnc3ccccc31)C2 ZINC000217832588 525863838 /nfs/dbraw/zinc/86/38/38/525863838.db2.gz OEXOTRFAOJLISC-GFCCVEGCSA-N 0 0 353.382 1.301 50 70 FDIARN C[C@@H](O)c1cc2n(n1)CCN(C(=O)CCS(=O)(=O)c1ccccc1)C2 ZINC000216976295 525863911 /nfs/dbraw/zinc/86/39/11/525863911.db2.gz YAVUOOYBZMWGHC-CYBMUJFWSA-N 0 0 363.439 1.143 50 70 FDIARN O=C(CC1(n2cccc2)CCOCC1)NCCc1nnc2ccccn21 ZINC000218326585 526335822 /nfs/dbraw/zinc/33/58/22/526335822.db2.gz LRQAETKMJWRMBS-UHFFFAOYSA-N 0 0 353.426 1.786 50 70 FDIARN O=C(CC1=CSC2=NCCCN12)N1CCCO[C@@H](Cn2cccn2)C1 ZINC000216986212 526341095 /nfs/dbraw/zinc/34/10/95/526341095.db2.gz UBYHCDVLKCECND-OAHLLOKOSA-N 0 0 361.471 1.541 50 70 FDIARN O=C(CCc1nnc2ccc(Cl)nn21)N[C@H](CO)Cc1ccccc1 ZINC000218562458 526665366 /nfs/dbraw/zinc/66/53/66/526665366.db2.gz LPQYIHFGTKCAQJ-ZDUSSCGKSA-N 0 0 359.817 1.430 50 70 FDIARN O=C(CN1CCCCCC1=O)N[C@@H]1COCC[C@@H]1OCc1ccccc1 ZINC000218379895 526739848 /nfs/dbraw/zinc/73/98/48/526739848.db2.gz CAYSLYPHUJYWEX-MSOLQXFVSA-N 0 0 360.454 1.880 50 70 FDIARN Cn1c2cc(S(=O)(=O)NCCSC3CCOCC3)ccc2oc1=O ZINC000217711034 527096703 /nfs/dbraw/zinc/09/67/03/527096703.db2.gz YNRUKXINUDMQMM-UHFFFAOYSA-N 0 0 372.468 1.322 50 70 FDIARN Cn1cc([C@@H](NC(=O)CCn2cnc3ccccc32)[C@H]2C[C@H](O)C2)cn1 ZINC000218334047 527295003 /nfs/dbraw/zinc/29/50/03/527295003.db2.gz GXXPYWUHNIWHMD-OHNRDTAOSA-N 0 0 353.426 1.788 50 70 FDIARN CCc1nc2n(n1)C[C@H](NC(=O)c1cnn(-c3ccc(F)cc3)n1)CC2 ZINC000160699069 206228526 /nfs/dbraw/zinc/22/85/26/206228526.db2.gz ISKCTOWIHMQCIV-GFCCVEGCSA-N 0 0 355.377 1.305 50 70 FDIARN CS(=O)(=O)C[C@@H](O)c1cc2n(n1)CCN(Cc1cccc(F)c1F)C2 ZINC000218535790 206371454 /nfs/dbraw/zinc/37/14/54/206371454.db2.gz WYGPNFNZRZWWBX-OAHLLOKOSA-N 0 0 371.409 1.255 50 70 FDIARN O=C(CN1CCCCCC1=O)N[C@H](c1ccc2c(c1)CCO2)C1CC(O)C1 ZINC000218592883 206372585 /nfs/dbraw/zinc/37/25/85/206372585.db2.gz PDUDFFHNICUQAF-MYKUNDNFSA-N 0 0 372.465 1.952 50 70 FDIARN CCOCC(=O)N1CCC(C(=O)N[C@H](CC)c2cn3cccnc3n2)CC1 ZINC000218747757 206372888 /nfs/dbraw/zinc/37/28/88/206372888.db2.gz ASCOYQXLHIUGLX-OAHLLOKOSA-N 0 0 373.457 1.572 50 70 FDIARN Cn1nccc1[C@H](O)c1cc2n(n1)CCCN(C(=O)c1cccc(F)c1)C2 ZINC000218708634 206373927 /nfs/dbraw/zinc/37/39/27/206373927.db2.gz PWFXIABEEADTGQ-GOSISDBHSA-N 0 0 369.400 1.884 50 70 FDIARN COc1cncc([C@H](NC(=O)C2(Cn3ccnc3)CC2)[C@H]2C[C@@H](O)C2)c1 ZINC000218770296 206375661 /nfs/dbraw/zinc/37/56/61/206375661.db2.gz PUBJRTSNXKARPB-FRFSOERESA-N 0 0 356.426 1.695 50 70 FDIARN COc1ccc2c(c1)c(C(=O)N1CCn3nc(CO)cc3C1)c(C)n2C ZINC000217073986 206362198 /nfs/dbraw/zinc/36/21/98/206362198.db2.gz YNBHZHAZWVFEQB-UHFFFAOYSA-N 0 0 354.410 1.840 50 70 FDIARN C[C@@H](O)c1cc2n(n1)CCN(C(=O)Cn1cc(C(F)(F)F)ccc1=O)C2 ZINC000217134475 206363228 /nfs/dbraw/zinc/36/32/28/206363228.db2.gz XEOLUCDRKCTXDA-SNVBAGLBSA-N 0 0 370.331 1.159 50 70 FDIARN Cc1noc(C)c1[C@@H]1CCCN1C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000218146937 206367123 /nfs/dbraw/zinc/36/71/23/206367123.db2.gz MISJIDLXXFPKOY-AWEZNQCLSA-N 0 0 354.366 1.799 50 70 FDIARN COc1ccc(S(N)(=O)=O)cc1C(=O)N(C)C1Cc2ccccc2C1 ZINC000218052595 206367619 /nfs/dbraw/zinc/36/76/19/206367619.db2.gz ZFMOGAQCWIHHNO-UHFFFAOYSA-N 0 0 360.435 1.582 50 70 FDIARN O=C(N[C@@H]1COCC[C@H]1Oc1ccc(CO)cc1)c1cn2ccsc2n1 ZINC000218463310 206370354 /nfs/dbraw/zinc/37/03/54/206370354.db2.gz JOTXYTMEHKPPNG-HZPDHXFCSA-N 0 0 373.434 1.854 50 70 FDIARN CCS(=O)(=O)Nc1ccc(C(=O)N2CCC3(CNC(=O)O3)CC2)cc1 ZINC000218438942 206370399 /nfs/dbraw/zinc/37/03/99/206370399.db2.gz PSLHRNFEDGXAFZ-UHFFFAOYSA-N 0 0 367.427 1.163 50 70 FDIARN CC(C)c1nnc(NC(=O)C[C@@H]2NC(=O)N(CCc3ccccc3)C2=O)[nH]1 ZINC000218342874 206370523 /nfs/dbraw/zinc/37/05/23/206370523.db2.gz QJCKVTXTANZGLW-ZDUSSCGKSA-N 0 0 370.413 1.420 50 70 FDIARN CC(=O)c1c(C)nn(CC(=O)NCc2csc(-c3ncccn3)n2)c1C ZINC000218387937 206370731 /nfs/dbraw/zinc/37/07/31/206370731.db2.gz LAWWRBHNLHFXAQ-UHFFFAOYSA-N 0 0 370.438 1.932 50 70 FDIARN Cc1cccc2[nH]c(COCC(=O)N3CCN(c4cnccn4)CC3)nc21 ZINC000217005179 524914380 /nfs/dbraw/zinc/91/43/80/524914380.db2.gz KIKKOMRCVFPPFH-UHFFFAOYSA-N 0 0 366.425 1.527 50 70 FDIARN O=C(COc1cccc(-n2cnnn2)c1)N1CCC[C@H](Cn2ccnc2)C1 ZINC000218013196 526973997 /nfs/dbraw/zinc/97/39/97/526973997.db2.gz CIWMXIQGZYEFIC-OAHLLOKOSA-N 0 0 367.413 1.176 50 70 FDIARN Cn1cccc1[C@H](O)CCNC(=O)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000217948627 527407656 /nfs/dbraw/zinc/40/76/56/527407656.db2.gz TWRFDXGIOVLRQF-CQSZACIVSA-N 0 0 353.781 1.996 50 70 FDIARN CN(C)C(=O)CO[C@H]1CCOC[C@H]1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000218540609 206371341 /nfs/dbraw/zinc/37/13/41/206371341.db2.gz GDAZDPNHAFVKTH-KGLIPLIRSA-N 0 0 374.359 1.698 50 70 FDIARN COCCc1noc(CN(C)C(=O)[C@H](c2cccc(F)c2)N(C)C)n1 ZINC000218757642 206372943 /nfs/dbraw/zinc/37/29/43/206372943.db2.gz ZMNFXOJBWKWEAM-INIZCTEOSA-N 0 0 350.394 1.659 50 70 FDIARN CCn1nccc1C(=O)N1CCc2[nH]c(-c3ccc(C(N)=O)cc3)nc2C1 ZINC000218680054 206373048 /nfs/dbraw/zinc/37/30/48/206373048.db2.gz WIVIFECWNONJFH-UHFFFAOYSA-N 0 0 364.409 1.591 50 70 FDIARN CS(=O)(=O)c1ccc(CC(=O)NCc2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000218658988 206373518 /nfs/dbraw/zinc/37/35/18/206373518.db2.gz TUBJYZAJVHIEGA-UHFFFAOYSA-N 0 0 359.407 1.119 50 70 FDIARN COc1cc(OC)c([C@H](CC(N)=O)c2oc(C)cc(=O)c2O)cc1OC ZINC000217592970 206364657 /nfs/dbraw/zinc/36/46/57/206364657.db2.gz ZDPJSBDGLPBNDV-NSHDSACASA-N 0 0 363.366 1.687 50 70 FDIARN C[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1cc3c([nH]c1=O)CCCC3)C2 ZINC000217740083 206365642 /nfs/dbraw/zinc/36/56/42/206365642.db2.gz KIIQCRDTUYJYTK-GFCCVEGCSA-N 0 0 356.426 1.550 50 70 FDIARN COc1cc(C(=O)N2CCCn3nc(CO)cc3C2)c2ccccc2n1 ZINC000217878945 206365830 /nfs/dbraw/zinc/36/58/30/206365830.db2.gz XENMCODYXSDDDU-UHFFFAOYSA-N 0 0 352.394 1.978 50 70 FDIARN CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@H]2c1cccc2nccnc21 ZINC000217840356 206366033 /nfs/dbraw/zinc/36/60/33/206366033.db2.gz VUDOTCNAFGBOAJ-NSHDSACASA-N 0 0 365.345 1.936 50 70 FDIARN C[C@H](O)c1cc2n(n1)CCCN(C(=O)c1cc3c([nH]c1=O)CCCC3)C2 ZINC000217740164 206366526 /nfs/dbraw/zinc/36/65/26/206366526.db2.gz KIIQCRDTUYJYTK-LBPRGKRZSA-N 0 0 356.426 1.550 50 70 FDIARN C[C@H](NS(C)(=O)=O)C(=O)NCCCc1nc2cc(Cl)ccc2[nH]1 ZINC000218061456 206367019 /nfs/dbraw/zinc/36/70/19/206367019.db2.gz WRGDHDAMKBDOAY-VIFPVBQESA-N 0 0 358.851 1.203 50 70 FDIARN O=C(CNC(=O)c1cnccn1)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000218162793 206368251 /nfs/dbraw/zinc/36/82/51/206368251.db2.gz DJVQQGDRJDFXPY-HNNXBMFYSA-N 0 0 350.382 1.446 50 70 FDIARN CSCC[C@H](NC(=O)[C@@H]1CC(=O)OC1(C)C)c1nnc2ccccn21 ZINC000218296574 206368870 /nfs/dbraw/zinc/36/88/70/206368870.db2.gz ISBSNXCMSPGCII-RYUDHWBXSA-N 0 0 362.455 1.981 50 70 FDIARN CNc1cc(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(CO)cc2)ccn1 ZINC000218449514 206370875 /nfs/dbraw/zinc/37/08/75/206370875.db2.gz OUALKBIDFLPAGR-IAGOWNOFSA-N 0 0 357.410 1.582 50 70 FDIARN CC(C)c1ccc(N2C(=O)N[C@@H](CC(=O)NCCn3cccn3)C2=O)cc1 ZINC000218566991 519836783 /nfs/dbraw/zinc/83/67/83/519836783.db2.gz ONELLLQWDHSGRW-INIZCTEOSA-N 0 0 369.425 1.638 50 70 FDIARN CCc1nnc(SCC(=O)N[C@@H]2CCOC[C@H]2OCC=C(C)C)[nH]1 ZINC000218503148 522131197 /nfs/dbraw/zinc/13/11/97/522131197.db2.gz XDSDTQLDMNUHFE-CHWSQXEVSA-N 0 0 354.476 1.716 50 70 FDIARN COc1ccc(-c2cc(C(=O)N[C@H](CO)CCSC)[nH]n2)c(OC)c1 ZINC000218337317 523100580 /nfs/dbraw/zinc/10/05/80/523100580.db2.gz PSPXIBVFMRCDDJ-NSHDSACASA-N 0 0 365.455 1.938 50 70 FDIARN COCc1nn2c(nc(CSCC(=O)N3CCCC3)cc2=O)s1 ZINC000218536655 523246366 /nfs/dbraw/zinc/24/63/66/523246366.db2.gz GCSDNPRRFHMEBI-UHFFFAOYSA-N 0 0 354.457 1.153 50 70 FDIARN COc1ccccc1[C@@H]1CCCN1C(=O)COc1ccc2nncn2n1 ZINC000217202308 524749979 /nfs/dbraw/zinc/74/99/79/524749979.db2.gz DTIVGSZCVXSECT-AWEZNQCLSA-N 0 0 353.382 1.875 50 70 FDIARN COc1cn(CC(=O)Nc2n[nH]c(Cc3ccc(F)cc3)n2)c(C)cc1=O ZINC000218249555 524887518 /nfs/dbraw/zinc/88/75/18/524887518.db2.gz XWPVCLYKSOUKMK-UHFFFAOYSA-N 0 0 371.372 1.652 50 70 FDIARN C[C@H](O)c1cc2n(n1)CCN(C(=O)c1cccc(N3CCNC3=O)c1)C2 ZINC000217723379 525851957 /nfs/dbraw/zinc/85/19/57/525851957.db2.gz XTGVAFKHADLKEN-LBPRGKRZSA-N 0 0 355.398 1.122 50 70 FDIARN C[C@@]1(c2ccccc2)CC(=O)N(CCC(=O)NCCc2ccccn2)C1=O ZINC000218292774 525895789 /nfs/dbraw/zinc/89/57/89/525895789.db2.gz JIFHZUKMMMRTPQ-NRFANRHFSA-N 0 0 365.433 1.847 50 70 FDIARN C[C@H](c1ccncn1)N(C)C(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000218365141 526161281 /nfs/dbraw/zinc/16/12/81/526161281.db2.gz HKGKLPGNLRNMPX-CQSZACIVSA-N 0 0 353.426 1.943 50 70 FDIARN NC(=O)c1ccc(NC(=O)CC[C@@H]2NC(=O)N(Cc3ccco3)C2=O)cc1 ZINC000218172608 527059102 /nfs/dbraw/zinc/05/91/02/527059102.db2.gz AVJRQTBJNNMGSA-AWEZNQCLSA-N 0 0 370.365 1.218 50 70 FDIARN Cn1cc([C@H](Nc2cncc(C(=O)N3CCCC3)n2)[C@H]2C[C@H](O)C2)cn1 ZINC000218427665 527314994 /nfs/dbraw/zinc/31/49/94/527314994.db2.gz ZHQMTELCGNWWSZ-HACGYAERSA-N 0 0 356.430 1.370 50 70 FDIARN Cn1nc(C(N)=O)c2c1CCN(C(=O)CCSCc1ccccc1)C2 ZINC000218188764 527550063 /nfs/dbraw/zinc/55/00/63/527550063.db2.gz HGLFICYKAVADMU-UHFFFAOYSA-N 0 0 358.467 1.727 50 70 FDIARN O=C(N[C@@H]1COCC[C@@H]1OCc1cscn1)c1cccn2cnnc12 ZINC000218585223 206371633 /nfs/dbraw/zinc/37/16/33/206371633.db2.gz ZJJXKPMZMYEFOA-KGLIPLIRSA-N 0 0 359.411 1.290 50 70 FDIARN O=C(CN1CCC(c2ccccc2)CC1)N[C@@H]1COCC[C@@H]1OCCO ZINC000218757378 206373824 /nfs/dbraw/zinc/37/38/24/206373824.db2.gz DJZWUIRJAMJVRR-MOPGFXCFSA-N 0 0 362.470 1.149 50 70 FDIARN Nc1cc(=O)[nH]c(CCNC(=O)Cc2cc3c(cc2Cl)OCCO3)n1 ZINC000218765525 206374304 /nfs/dbraw/zinc/37/43/04/206374304.db2.gz NDCZTFSJLHDYND-UHFFFAOYSA-N 0 0 364.789 1.090 50 70 FDIARN O=C(CN1CCc2ccccc2C1)N1CCCO[C@H](Cn2cccn2)C1 ZINC000217077865 206363152 /nfs/dbraw/zinc/36/31/52/206363152.db2.gz QWLKFNFEJSXEMJ-IBGZPJMESA-N 0 0 354.454 1.559 50 70 FDIARN CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@H]2c1ccc(O)c(OC)c1 ZINC000217646454 206363926 /nfs/dbraw/zinc/36/39/26/206363926.db2.gz BLMKBQLWHZMFQB-JTQLQIEISA-N 0 0 359.334 1.707 50 70 FDIARN O=C(c1cc(-c2ccco2)n[nH]1)N1CC(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)C1 ZINC000217733494 206365727 /nfs/dbraw/zinc/36/57/27/206365727.db2.gz UDNJIJXVDHVRAP-BETUJISGSA-N 0 0 366.377 1.445 50 70 FDIARN Cc1ccc2c(c1)c(CNC(=O)[C@H](c1ccccc1)n1cnnn1)nn2C ZINC000218021924 206366766 /nfs/dbraw/zinc/36/67/66/206366766.db2.gz VWRSQUBCYKYJBI-SFHVURJKSA-N 0 0 361.409 1.774 50 70 FDIARN CC(C)c1nnc(N2CCn3nc([C@H](O)c4nccn4C)cc3C2)s1 ZINC000218084901 206366922 /nfs/dbraw/zinc/36/69/22/206366922.db2.gz KJQDWBUNBMESOL-ZDUSSCGKSA-N 0 0 359.459 1.693 50 70 FDIARN NC(=O)c1ccc(O[C@@H]2COCC[C@H]2NC(=O)c2ccc(O)cc2)cc1 ZINC000218126432 206367385 /nfs/dbraw/zinc/36/73/85/206367385.db2.gz CPRRVZNCBPPGAK-IAGOWNOFSA-N 0 0 356.378 1.457 50 70 FDIARN CCOC(=O)Cc1csc(NC(=O)Cn2cc(OC)c(=O)cc2C)n1 ZINC000218338390 206370770 /nfs/dbraw/zinc/37/07/70/206370770.db2.gz ZCKAJJLUVGSQGU-UHFFFAOYSA-N 0 0 365.411 1.366 50 70 FDIARN O=C(CN1CCN(c2ccccn2)CC1)N1CC[C@H](Oc2cccnc2)C1 ZINC000161441094 132261044 /nfs/dbraw/zinc/26/10/44/132261044.db2.gz IYVUNQUCCUJMDR-SFHVURJKSA-N 0 0 367.453 1.279 50 70 FDIARN CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)Cc1c(F)cccc1Cl ZINC000160314090 173706763 /nfs/dbraw/zinc/70/67/63/173706763.db2.gz PRMRCDRCOLJBSA-IINYFYTJSA-N 0 0 362.854 1.856 50 70 FDIARN CCOC(=O)Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1ccc(F)c(F)c1 ZINC000218280001 520904684 /nfs/dbraw/zinc/90/46/84/520904684.db2.gz SAQSFDKXBFFXHB-VIFPVBQESA-N 0 0 353.325 1.094 50 70 FDIARN COCCn1c(CO)nnc1[C@H]1C[C@H](NC(=O)c2ccc3c(c2)CCC3)C1 ZINC000218233912 522066857 /nfs/dbraw/zinc/06/68/57/522066857.db2.gz WFXDPGPHLOPUIE-CALCHBBNSA-N 0 0 370.453 1.582 50 70 FDIARN COC(=O)c1ccc(S(=O)(=O)NCC[C@@H](O)c2ccsc2)cc1 ZINC000217539926 522155582 /nfs/dbraw/zinc/15/55/82/522155582.db2.gz VWWNAUFDXHNQEN-CQSZACIVSA-N 0 0 355.437 1.937 50 70 FDIARN CN(C[C@H]1Cc2ccccc2CN1C)C(=O)CSc1nnc(N)s1 ZINC000217668562 523149465 /nfs/dbraw/zinc/14/94/65/523149465.db2.gz SCOVUEDHYCCWKW-CYBMUJFWSA-N 0 0 363.512 1.728 50 70 FDIARN CN(C)C(=O)C[C@H](O)c1cc2n(n1)CCN(Cc1ccc(F)cc1F)C2 ZINC000218241090 523997850 /nfs/dbraw/zinc/99/78/50/523997850.db2.gz OZCXKLMBSOMTBB-KRWDZBQOSA-N 0 0 364.396 1.689 50 70 FDIARN O=C(c1ccc(N2CCCC2)cc1)N1CCn2nc([C@@H](O)CO)cc2C1 ZINC000217536394 526698216 /nfs/dbraw/zinc/69/82/16/526698216.db2.gz WNIXJWQTOAGWOT-SFHVURJKSA-N 0 0 356.426 1.165 50 70 FDIARN O=C(CN1CCCCC1=O)N[C@H](c1ccc2c(c1)CCO2)C1CC(O)C1 ZINC000218297759 526738370 /nfs/dbraw/zinc/73/83/70/526738370.db2.gz BAGKUAPBKGVMOR-ALLBUHFWSA-N 0 0 358.438 1.562 50 70 FDIARN O=C(N[C@H](Cc1ccccn1)[C@H]1C[C@H](O)C1)c1cc(=O)nc2sccn21 ZINC000218256664 527003128 /nfs/dbraw/zinc/00/31/28/527003128.db2.gz VXSNQQMFSGAGTF-KWCYVHTRSA-N 0 0 370.434 1.263 50 70 FDIARN O=C(COc1ncnc2ccccc21)NCCc1noc([C@@H]2CCCO2)n1 ZINC000217913014 527003374 /nfs/dbraw/zinc/00/33/74/527003374.db2.gz WJVGYUSETIDGNI-AWEZNQCLSA-N 0 0 369.381 1.602 50 70 FDIARN O=C(Cn1cnc2ccsc2c1=O)N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1 ZINC000218405678 527405329 /nfs/dbraw/zinc/40/53/29/527405329.db2.gz OJXDQOPOYXMBAK-OZVIIMIRSA-N 0 0 370.434 1.481 50 70 FDIARN Cc1noc(CCNC(=O)c2c(C)cc(C)n(C[C@@H]3CCCO3)c2=O)n1 ZINC000218609697 206371597 /nfs/dbraw/zinc/37/15/97/206371597.db2.gz FUEASOIZWOFICQ-AWEZNQCLSA-N 0 0 360.414 1.308 50 70 FDIARN COCCc1noc(CN(C)C(=O)[C@@H](c2cccc(F)c2)N(C)C)n1 ZINC000218757606 206373521 /nfs/dbraw/zinc/37/35/21/206373521.db2.gz ZMNFXOJBWKWEAM-MRXNPFEDSA-N 0 0 350.394 1.659 50 70 FDIARN Nc1nc2c(c(C(=O)N3CCCN(Cc4cccnc4)CC3)n1)CCCC2 ZINC000216984664 206360654 /nfs/dbraw/zinc/36/06/54/206360654.db2.gz BMDDTNZFYSLTDJ-UHFFFAOYSA-N 0 0 366.469 1.681 50 70 FDIARN C[C@H](O)c1cc2n(n1)CCCN(C(=O)c1ccc3[nH]c(CO)nc3c1)C2 ZINC000217721871 206365932 /nfs/dbraw/zinc/36/59/32/206365932.db2.gz IBAZTOHTLFQURQ-NSHDSACASA-N 0 0 355.398 1.351 50 70 FDIARN O=c1cc(CN2CCc3ccccc3C2)oc(CN2CCOCC2)c1O ZINC000218158027 206368220 /nfs/dbraw/zinc/36/82/20/206368220.db2.gz WWXNNNAPDBBCAG-UHFFFAOYSA-N 0 0 356.422 1.736 50 70 FDIARN O=C(N[C@@H]1CCOC[C@H]1OCc1cscn1)c1c[nH]c(=O)c(Cl)c1 ZINC000218283154 206369039 /nfs/dbraw/zinc/36/90/39/206369039.db2.gz MPGZHQBUIRIMBR-CHWSQXEVSA-N 0 0 369.830 1.589 50 70 FDIARN O=C(CC1(n2cccc2)CCOCC1)Nc1ccc(-n2cnnn2)cc1 ZINC000218168204 206369158 /nfs/dbraw/zinc/36/91/58/206369158.db2.gz PFMQZBYGTPMICR-UHFFFAOYSA-N 0 0 352.398 1.998 50 70 FDIARN O=C(CCc1cc(Cl)no1)NC[C@@H](c1ccccn1)N1CCOCC1 ZINC000217158792 263458902 /nfs/dbraw/zinc/45/89/02/263458902.db2.gz DCCLCDQTFVJVGY-HNNXBMFYSA-N 0 0 364.833 1.845 50 70 FDIARN COCCn1cc(C(=O)Nc2nnc(C3CC3)[nH]2)c2ccccc2c1=O ZINC000218265347 522081713 /nfs/dbraw/zinc/08/17/13/522081713.db2.gz JHKRQUVLSDAVTE-UHFFFAOYSA-N 0 0 353.382 1.896 50 70 FDIARN COC(=O)CS[C@@H]1CCN(C(=O)Cn2c3ccccc3oc2=O)C1 ZINC000217556848 523246890 /nfs/dbraw/zinc/24/68/90/523246890.db2.gz AGRXGEQFBJZHIG-LLVKDONJSA-N 0 0 350.396 1.102 50 70 FDIARN O=C(CCCc1nc(-c2cccnc2)no1)N1CCC(n2cnnc2)CC1 ZINC000218487474 526463190 /nfs/dbraw/zinc/46/31/90/526463190.db2.gz NWJLMIXTXURNFO-UHFFFAOYSA-N 0 0 367.413 1.910 50 70 FDIARN O=C(COc1ncnc2ccccc21)N1CCCO[C@@H](Cn2cccn2)C1 ZINC000217505825 527004083 /nfs/dbraw/zinc/00/40/83/527004083.db2.gz SBPDTOINWILLFA-OAHLLOKOSA-N 0 0 367.409 1.523 50 70 FDIARN O=C(Cc1ccc2c(c1)OCO2)NCCc1nc(-c2ccccn2)no1 ZINC000218323153 527253084 /nfs/dbraw/zinc/25/30/84/527253084.db2.gz FXXXZFDQHBBHPD-UHFFFAOYSA-N 0 0 352.350 1.762 50 70 FDIARN O=C(Cn1c(=O)oc2ccccc21)NCCc1noc([C@@H]2CCCO2)n1 ZINC000216911598 527355210 /nfs/dbraw/zinc/35/52/10/527355210.db2.gz ARXMKKVEXWNKSI-ZDUSSCGKSA-N 0 0 358.354 1.188 50 70 FDIARN Cc1nnc([C@H]2CCCN(C(=O)COc3ncnc4ccccc43)C2)[nH]1 ZINC000217102821 537452584 /nfs/dbraw/zinc/45/25/84/537452584.db2.gz HZIOHCIMMCXSHF-ZDUSSCGKSA-N 0 0 352.398 1.841 50 70 FDIARN Cc1nc(N(C)C)ncc1C(=O)N[C@@H]1CCOC[C@H]1OCc1ccccn1 ZINC000218635202 206372044 /nfs/dbraw/zinc/37/20/44/206372044.db2.gz UBWPQLNDXYNQRY-IAGOWNOFSA-N 0 0 371.441 1.350 50 70 FDIARN O=C(N[C@@H]1COCC[C@@H]1OCc1cscn1)c1ccn2cnnc2c1 ZINC000218656653 206373206 /nfs/dbraw/zinc/37/32/06/206373206.db2.gz LOBQLQWVKODCOU-KGLIPLIRSA-N 0 0 359.411 1.290 50 70 FDIARN COc1ccc2cc(CN3CCn4nc([C@@H](C)O)cc4C3)c(=O)[nH]c2c1 ZINC000217142577 206361840 /nfs/dbraw/zinc/36/18/40/206361840.db2.gz JVJFTEPSXQIUKH-GFCCVEGCSA-N 0 0 354.410 1.802 50 70 FDIARN O=C(c1ccc2nsnc2c1)N1[C@@H]2CC[C@H]1CC(N1C(=O)CCC1=O)C2 ZINC000217761417 206365773 /nfs/dbraw/zinc/36/57/73/206365773.db2.gz SDRORYGSBFBCGT-FUNVUKJBSA-N 0 0 370.434 1.976 50 70 FDIARN O=C(c1ccc2c(c1)OCO2)N1CC(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)C1 ZINC000217721357 206366140 /nfs/dbraw/zinc/36/61/40/206366140.db2.gz BLTXOVGXHHLYHN-OKILXGFUSA-N 0 0 354.362 1.191 50 70 FDIARN Cc1ccc2[nH]c(C(=O)N3CCCn4nc([C@H](O)CO)cc4C3)nc2c1 ZINC000217956333 206366897 /nfs/dbraw/zinc/36/68/97/206366897.db2.gz AJBWVKMAQHDHHT-MRXNPFEDSA-N 0 0 355.398 1.140 50 70 FDIARN O=C(N[C@H]1COC[C@@H]1O)c1ccccc1S(=O)(=O)Cc1ccccc1 ZINC000218043698 206367356 /nfs/dbraw/zinc/36/73/56/206367356.db2.gz KEWJLOODMRLKIH-HOTGVXAUSA-N 0 0 361.419 1.150 50 70 FDIARN CS(=O)(=O)N1CCN(C(=O)c2cnc3ccc(Cl)cc3c2O)CC1 ZINC000218134543 206367631 /nfs/dbraw/zinc/36/76/31/206367631.db2.gz XDAKQGQLESBQAF-UHFFFAOYSA-N 0 0 369.830 1.311 50 70 FDIARN CSCC[C@H](NC(=O)[C@H]1CC(=O)OC1(C)C)c1nnc2ccccn21 ZINC000218296609 206368773 /nfs/dbraw/zinc/36/87/73/206368773.db2.gz ISBSNXCMSPGCII-NEPJUHHUSA-N 0 0 362.455 1.981 50 70 FDIARN O=C(CN1C(=O)CC2(CCCC2)C1=O)Nc1cccc(-c2nc[nH]n2)c1 ZINC000218353513 206371017 /nfs/dbraw/zinc/37/10/17/206371017.db2.gz BRFSRERUHJDYFA-UHFFFAOYSA-N 0 0 353.382 1.730 50 70 FDIARN CCOc1ccc(C)cc1S(=O)(=O)NCC[C@H](O)C1CCOCC1 ZINC000217924895 520927250 /nfs/dbraw/zinc/92/72/50/520927250.db2.gz UICBXHLHSIZMHV-HNNXBMFYSA-N 0 0 357.472 1.850 50 70 FDIARN CNS(=O)(=O)c1ccc(CCC(=O)NCCc2scnc2C)cc1 ZINC000217620197 522285001 /nfs/dbraw/zinc/28/50/01/522285001.db2.gz HTOKNISENRNAQK-UHFFFAOYSA-N 0 0 367.496 1.651 50 70 FDIARN CN(CC(=O)NC[C@@H]1CC(=O)N(C)c2ccccc21)Cc1ccccn1 ZINC000217540964 522480507 /nfs/dbraw/zinc/48/05/07/522480507.db2.gz IXKIXMNJCXWDNY-HNNXBMFYSA-N 0 0 352.438 1.780 50 70 FDIARN Cc1ccc(CCNC(=O)C[C@H]2C(=O)NCCN2Cc2ccc(F)cc2)o1 ZINC000218042432 524325929 /nfs/dbraw/zinc/32/59/29/524325929.db2.gz PRTGTJNEHNXLIR-SFHVURJKSA-N 0 0 373.428 1.777 50 70 FDIARN C[C@@H](O)c1cc2n(n1)CCN(C(=O)c1cccc(N3CCNC3=O)c1)C2 ZINC000217723310 525863419 /nfs/dbraw/zinc/86/34/19/525863419.db2.gz XTGVAFKHADLKEN-GFCCVEGCSA-N 0 0 355.398 1.122 50 70 FDIARN C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)N1CCN(c2cnccn2)CC1 ZINC000217963094 525934955 /nfs/dbraw/zinc/93/49/55/525934955.db2.gz IJQOIIVCCAQKCL-CYBMUJFWSA-N 0 0 356.382 1.321 50 70 FDIARN O=C(CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O)NCCc1ccc(O)cc1 ZINC000217859084 526561325 /nfs/dbraw/zinc/56/13/25/526561325.db2.gz YJZZEIVSLUXSCD-INIZCTEOSA-N 0 0 371.393 1.545 50 70 FDIARN O=C(N[C@@H](Cc1ccccn1)[C@H]1C[C@H](O)C1)c1cc(=O)nc2sccn21 ZINC000218256618 526865085 /nfs/dbraw/zinc/86/50/85/526865085.db2.gz VXSNQQMFSGAGTF-YUTCNCBUSA-N 0 0 370.434 1.263 50 70 FDIARN O=C(N[C@@H]1CCOC[C@H]1OCc1cscn1)C1(Cn2ccnc2)CC1 ZINC000217989538 526935569 /nfs/dbraw/zinc/93/55/69/526935569.db2.gz LFYUGEZKUXWIMT-HUUCEWRRSA-N 0 0 362.455 1.610 50 70 FDIARN Cc1nc2ccccc2n1CCC(=O)NCc1nc(-c2cnccn2)n[nH]1 ZINC000217689270 527165738 /nfs/dbraw/zinc/16/57/38/527165738.db2.gz PKYJRLOTZRCOMA-UHFFFAOYSA-N 0 0 362.397 1.626 50 70 FDIARN CSCC[C@@H](NC(C)=O)C(=O)Nc1cnn(CC2CCOCC2)c1 ZINC000218227680 537461246 /nfs/dbraw/zinc/46/12/46/537461246.db2.gz JHGOIPGHSCYPSI-OAHLLOKOSA-N 0 0 354.476 1.506 50 70 FDIARN CC(C)[C@@H]1C(=O)NCCN1Cc1ccccc1OCCN1CCOCC1 ZINC000218687755 206373483 /nfs/dbraw/zinc/37/34/83/206373483.db2.gz LGRBNQVZVLFXKG-LJQANCHMSA-N 0 0 361.486 1.354 50 70 FDIARN C[C@@H](O)c1cc2n(n1)CCN(C(=O)C1(N3CCOCC3)CCCCC1)C2 ZINC000216969026 206361540 /nfs/dbraw/zinc/36/15/40/206361540.db2.gz XLAMGSLWDHEWAB-OAHLLOKOSA-N 0 0 362.474 1.314 50 70 FDIARN CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@@H]2c1ccc2nccnc2c1 ZINC000217596119 206364229 /nfs/dbraw/zinc/36/42/29/206364229.db2.gz CTUIRPYITBQQEJ-LLVKDONJSA-N 0 0 365.345 1.936 50 70 FDIARN C[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1[nH]c(=O)nc3ccccc31)C2 ZINC000217534942 206364602 /nfs/dbraw/zinc/36/46/02/206364602.db2.gz POAHOEPYPAHSLA-LLVKDONJSA-N 0 0 353.382 1.219 50 70 FDIARN CN(C[C@]1(c2ccccc2)CC1(C)C)C(=O)c1c[nH]nc1-n1cnnn1 ZINC000217646509 206364754 /nfs/dbraw/zinc/36/47/54/206364754.db2.gz KWAAMYNJZUMNGW-SFHVURJKSA-N 0 0 351.414 1.825 50 70 FDIARN Cc1nn(C)c2nc(C)cc(C(=O)N3CCCn4nc(CO)cc4C3)c12 ZINC000217838241 206365370 /nfs/dbraw/zinc/36/53/70/206365370.db2.gz NEMGLRJXXPVLIE-UHFFFAOYSA-N 0 0 354.414 1.320 50 70 FDIARN Cc1cccc(N(CC(=O)N[C@H](C)Cc2cccnc2)S(C)(=O)=O)c1 ZINC000217765350 206365857 /nfs/dbraw/zinc/36/58/57/206365857.db2.gz JUCZOPGUBNWMOP-OAHLLOKOSA-N 0 0 361.467 1.903 50 70 FDIARN Cn1cnnc1SCCNC(=O)[C@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000217712111 206366199 /nfs/dbraw/zinc/36/61/99/206366199.db2.gz GOIFNVYVTIHUQO-UONOGXRCSA-N 0 0 365.503 1.452 50 70 FDIARN O=C(c1cccc2c1OCCO2)N1CCn2nc([C@@H](O)C3CC3)cc2C1 ZINC000218113230 206367270 /nfs/dbraw/zinc/36/72/70/206367270.db2.gz KGTSIBYCSYTSDA-KRWDZBQOSA-N 0 0 355.394 1.754 50 70 FDIARN CC(C)n1cc(CNC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cn1 ZINC000218317766 206369057 /nfs/dbraw/zinc/36/90/57/206369057.db2.gz IXZYIVRSUZNXSH-UHFFFAOYSA-N 0 0 368.434 1.686 50 70 FDIARN O=C(COc1ccc2c(c1)NC(=O)CC2)Nc1n[nH]c(C(F)(F)F)n1 ZINC000218504259 206370043 /nfs/dbraw/zinc/37/00/43/206370043.db2.gz RKRVIXFABNNKFR-UHFFFAOYSA-N 0 0 355.276 1.726 50 70 FDIARN O=C(N[C@@H]1CCOC[C@H]1O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000218318838 132272780 /nfs/dbraw/zinc/27/27/80/132272780.db2.gz HMQUMDMLNWUHGU-ZIAGYGMSSA-N 0 0 373.375 1.583 50 70 FDIARN C[C@H](Cc1cccnc1)NC(=O)c1ccccc1N1CCS(=O)(=O)CC1 ZINC000218528598 132273238 /nfs/dbraw/zinc/27/32/38/132273238.db2.gz DNBLKQOVBCBWFS-OAHLLOKOSA-N 0 0 373.478 1.677 50 70 FDIARN COCc1nc(C)c(CNC(=O)[C@H](C)Sc2nc(C)cc(=O)[nH]2)s1 ZINC000218496739 523188789 /nfs/dbraw/zinc/18/87/89/523188789.db2.gz KVJHXQKXQJGAFI-JTQLQIEISA-N 0 0 368.484 1.787 50 70 FDIARN CN1CCN(C(=O)COc2ccc3nncn3n2)C[C@H]1c1ccccc1 ZINC000217360035 523873935 /nfs/dbraw/zinc/87/39/35/523873935.db2.gz ILBBLPWMKYEKFY-HNNXBMFYSA-N 0 0 352.398 1.018 50 70 FDIARN COc1cccc(N2C[C@H](C(=O)N[C@H](CO)CCSC)CC2=O)c1 ZINC000218214691 526163717 /nfs/dbraw/zinc/16/37/17/526163717.db2.gz XELSIPVNZSBHCM-OLZOCXBDSA-N 0 0 352.456 1.278 50 70 FDIARN O=C(CN1CCOc2ccccc2C1)N[C@@H]1COCC[C@@H]1OCC1CC1 ZINC000218150436 526797733 /nfs/dbraw/zinc/79/77/33/526797733.db2.gz QBMUPGFNTSMWIZ-MJGOQNOKSA-N 0 0 360.454 1.581 50 70 FDIARN O=S(=O)(NCC[C@@H](O)C1CCOCC1)c1ccc(F)c(Cl)c1 ZINC000217924549 527219057 /nfs/dbraw/zinc/21/90/57/527219057.db2.gz VYBKHIWZZTUBBI-CQSZACIVSA-N 0 0 351.827 1.935 50 70 FDIARN O=C(CN1CCCn2nc(CO)cc2C1)Nc1nnc(C2CCC2)s1 ZINC000217050455 537451857 /nfs/dbraw/zinc/45/18/57/537451857.db2.gz ZRAFWIQHQXIQIL-UHFFFAOYSA-N 0 0 362.459 1.339 50 70 FDIARN C[C@@](O)(CNC(=O)C(=O)Nc1ccc2c(c1)OCCO2)Cc1ccco1 ZINC000217283173 537454440 /nfs/dbraw/zinc/45/44/40/537454440.db2.gz IETPDALNSFHFJJ-SFHVURJKSA-N 0 0 360.366 1.099 50 70 FDIARN CC(=O)c1c(C)nn([C@H](C)CC(=O)N2Cc3nc(C)n(C)c(=O)c3C2)c1C ZINC000218709679 209670822 /nfs/dbraw/zinc/67/08/22/209670822.db2.gz AWLWFMPTKNTSMF-SNVBAGLBSA-N 0 0 371.441 1.598 50 70 FDIARN COc1ccc2ncc(C(=O)NCCc3nnc4ccccn43)c(O)c2c1 ZINC000218349711 209665220 /nfs/dbraw/zinc/66/52/20/209665220.db2.gz VZZIRJJDYKRCSG-UHFFFAOYSA-N 0 0 363.377 1.964 50 70 FDIARN O=C(c1nccs1)c1cccnc1N1CCCn2nc(CO)cc2C1 ZINC000217951593 209661439 /nfs/dbraw/zinc/66/14/39/209661439.db2.gz FEEUNFSKZPKKMD-UHFFFAOYSA-N 0 0 355.423 1.868 50 70 FDIARN O=C(Cn1ccc2ccccc21)N1Cc2cnc(N3CCOCC3)nc2C1 ZINC000217612791 132272465 /nfs/dbraw/zinc/27/24/65/132272465.db2.gz CZBYEMJBBCWLGQ-UHFFFAOYSA-N 0 0 363.421 1.810 50 70 FDIARN COC(=O)c1ccc(C(=O)N2Cc3cnc(N4CCOCC4)nc3C2)cc1 ZINC000217608401 132272487 /nfs/dbraw/zinc/27/24/87/132272487.db2.gz GVMULWWQUOFCRW-UHFFFAOYSA-N 0 0 368.393 1.256 50 70 FDIARN COc1ccc(N2C(=O)N[C@@H](CC(=O)NCCc3ccccn3)C2=O)cc1 ZINC000218532940 524395130 /nfs/dbraw/zinc/39/51/30/524395130.db2.gz NMQKMFQULCFRDV-INIZCTEOSA-N 0 0 368.393 1.264 50 70 FDIARN C[C@@H](O)c1cc2n(n1)CCN(CCC(=O)Nc1nnc(C3CC3)s1)C2 ZINC000217915542 525863616 /nfs/dbraw/zinc/86/36/16/525863616.db2.gz JEXRURSFMXWZQB-SNVBAGLBSA-N 0 0 362.459 1.510 50 70 FDIARN Cc1cc(C(=O)N2CCC[C@@H](Cc3nc(-c4cnccn4)no3)C2)no1 ZINC000217843576 526246217 /nfs/dbraw/zinc/24/62/17/526246217.db2.gz SAYWMRWMOKXXSQ-LBPRGKRZSA-N 0 0 354.370 1.918 50 70 FDIARN Cc1nn(CCC(=O)NCCn2[nH]c(=O)c3ccccc3c2=O)c(C)c1C ZINC000218293898 526277975 /nfs/dbraw/zinc/27/79/75/526277975.db2.gz VUEUPVQFKVZZQA-UHFFFAOYSA-N 0 0 369.425 1.018 50 70 FDIARN Cc1noc(C)c1CO[C@H]1CCOC[C@H]1NC(=O)COc1cccnc1 ZINC000218258026 526519546 /nfs/dbraw/zinc/51/95/46/526519546.db2.gz XZUXOJBPTFQAPL-SJORKVTESA-N 0 0 361.398 1.556 50 70 FDIARN Cc1noc(C)c1S(=O)(=O)N1CC(n2cc(-c3ccccc3)nn2)C1 ZINC000217673866 526548682 /nfs/dbraw/zinc/54/86/82/526548682.db2.gz YFPQNXMMHZESQQ-UHFFFAOYSA-N 0 0 359.411 1.796 50 70 FDIARN Cc1cc(=O)c2cccc(C(=O)N3CCn4nc([C@H](C)O)cc4C3)c2[nH]1 ZINC000216989422 537451664 /nfs/dbraw/zinc/45/16/64/537451664.db2.gz XZFCFIDLGDJHAY-LBPRGKRZSA-N 0 0 352.394 1.742 50 70 FDIARN Cc1nc2cc(C(=O)N3CCCn4nc([C@H](O)CO)cc4C3)ccc2s1 ZINC000216988599 537452991 /nfs/dbraw/zinc/45/29/91/537452991.db2.gz VNACTAWLPXELFC-MRXNPFEDSA-N 0 0 372.450 1.873 50 70 FDIARN O=C(c1cnc2ccccc2n1)N1CC(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)C1 ZINC000217722605 537457638 /nfs/dbraw/zinc/45/76/38/537457638.db2.gz OUSVEQBIOGFUFT-OKILXGFUSA-N 0 0 362.389 1.405 50 70 FDIARN O=C(NC1CCN(C(=O)N2CCOCC2)CC1)c1cc2sccc2[nH]1 ZINC000217785921 537458004 /nfs/dbraw/zinc/45/80/04/537458004.db2.gz NRRLRNXDAKRMOE-UHFFFAOYSA-N 0 0 362.455 1.876 50 70 FDIARN Cc1cc(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(C(N)=O)cc2)c(C)o1 ZINC000218440244 537463074 /nfs/dbraw/zinc/46/30/74/537463074.db2.gz OIQIVQHNMDQHNM-IAGOWNOFSA-N 0 0 358.394 1.962 50 70 FDIARN O=C(N[C@@H]1COCC[C@H]1OCc1ccccn1)c1ccc2nccn2c1 ZINC000218310643 537464075 /nfs/dbraw/zinc/46/40/75/537464075.db2.gz RKYSWWGOOSAILB-IAGOWNOFSA-N 0 0 352.394 1.833 50 70 FDIARN Cn1nnc(-c2ccc(C(=O)N[C@H]3CCOC[C@H]3C3CCOCC3)cc2)n1 ZINC000218376859 209666618 /nfs/dbraw/zinc/66/66/18/209666618.db2.gz KBXVOECNEIOZFQ-IRXDYDNUSA-N 0 0 371.441 1.439 50 70 FDIARN CC(=O)N1CCC(C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccc2)CC1 ZINC000218259317 519502094 /nfs/dbraw/zinc/50/20/94/519502094.db2.gz MGXQBZDHFPEMTK-RTBURBONSA-N 0 0 360.454 1.735 50 70 FDIARN CN(C)c1ccc(CC(=O)N2CCC[C@@H](c3nnc(CO)n3C)C2)cc1 ZINC000217761566 522160810 /nfs/dbraw/zinc/16/08/10/522160810.db2.gz YFKYBBJKHQXNSJ-OAHLLOKOSA-N 0 0 357.458 1.322 50 70 FDIARN CC[C@@H](C)[C@@H](CO)NC(=O)CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O ZINC000217750467 522301078 /nfs/dbraw/zinc/30/10/78/522301078.db2.gz VCVBPHQYHNRCOX-VNQPRFMTSA-N 0 0 361.442 1.410 50 70 FDIARN CC(C)(C)c1ncc(C(=O)NC2CCC(C(=O)NC(N)=O)CC2)s1 ZINC000160845386 524981250 /nfs/dbraw/zinc/98/12/50/524981250.db2.gz TZNNYLBKPFHFFS-UHFFFAOYSA-N 0 0 352.460 1.924 50 70 FDIARN Cc1[nH][nH]c(=O)c1[C@H](CC(N)=O)c1ccc(OCc2nccn2C)cc1 ZINC000218324216 525399249 /nfs/dbraw/zinc/39/92/49/525399249.db2.gz YXTUBWFPQROJTI-CQSZACIVSA-N 0 0 355.398 1.331 50 70 FDIARN Cc1cccnc1NC(=O)COc1coc(CN2CCOCC2)cc1=O ZINC000218382578 525535574 /nfs/dbraw/zinc/53/55/74/525535574.db2.gz HJCRWYSWBSXWDG-UHFFFAOYSA-N 0 0 359.382 1.193 50 70 FDIARN Cc1nnc(SCC(=O)N[C@@H]2CCOC[C@H]2Oc2ccccn2)s1 ZINC000218310859 526380265 /nfs/dbraw/zinc/38/02/65/526380265.db2.gz BAOTWVWVPQVCOE-VXGBXAGGSA-N 0 0 366.468 1.686 50 70 FDIARN O=C(Cn1ccc2ccccc21)N1CCCn2nc([C@H](O)CO)cc2C1 ZINC000217521582 527381483 /nfs/dbraw/zinc/38/14/83/527381483.db2.gz AGJXDYXBYUXAQQ-GOSISDBHSA-N 0 0 354.410 1.296 50 70 FDIARN O=C(NCCn1ccnc1-c1ccccn1)[C@H]1COc2ccccc2O1 ZINC000217860936 537458063 /nfs/dbraw/zinc/45/80/63/537458063.db2.gz QTRLFUCLZBVDMR-QGZVFWFLSA-N 0 0 350.378 1.901 50 70 FDIARN O=C(CC1(n2cccc2)CCOCC1)Nc1cccc(-n2cnnn2)c1 ZINC000218329389 537464294 /nfs/dbraw/zinc/46/42/94/537464294.db2.gz QGADBVMCGFGHDQ-UHFFFAOYSA-N 0 0 352.398 1.998 50 70 FDIARN CCC[C@@H](NC(C)=O)C(=O)N1CCc2[nH]c(-c3ccc(OC)nc3)nc2C1 ZINC000218627235 537465134 /nfs/dbraw/zinc/46/51/34/537465134.db2.gz ZETWLIIZGHQRLJ-OAHLLOKOSA-N 0 0 371.441 1.670 50 70 FDIARN O=C(Cn1c(=O)oc2ccccc21)N1CCCO[C@@H](Cn2cccn2)C1 ZINC000216913991 568153649 /nfs/dbraw/zinc/15/36/49/568153649.db2.gz SWAUTPRLLULEDU-CQSZACIVSA-N 0 0 356.382 1.109 50 70 FDIARN CN(C)C(=O)C[C@@H](O)c1cc2n(n1)CCN(Cc1ccc(F)c(F)c1)C2 ZINC000218029225 523998432 /nfs/dbraw/zinc/99/84/32/523998432.db2.gz QXGKDWVOTLGQED-QGZVFWFLSA-N 0 0 364.396 1.689 50 70 FDIARN COc1ccccc1CNC(=O)CN1CCn2nc([C@H](O)C3CC3)cc2C1 ZINC000218221349 524462768 /nfs/dbraw/zinc/46/27/68/524462768.db2.gz UGGZGDSVJQWOGA-HXUWFJFHSA-N 0 0 370.453 1.467 50 70 FDIARN COc1ccc(S(=O)(=O)NCC[C@H](O)C2CCOCC2)cc1Cl ZINC000217925452 525060529 /nfs/dbraw/zinc/06/05/29/525060529.db2.gz NXZCXRQUMQDTKV-AWEZNQCLSA-N 0 0 363.863 1.805 50 70 FDIARN C[C@@H](O)c1cc2n(n1)CCN(C(=O)CCc1nc3cc(F)ccc3[nH]1)C2 ZINC000218367308 525864291 /nfs/dbraw/zinc/86/42/91/525864291.db2.gz VFULBBMOZYBZDW-LLVKDONJSA-N 0 0 357.389 1.927 50 70 FDIARN O=C(NCCCc1nnc2ccccn21)C1(n2cnnn2)CCCCC1 ZINC000218465420 526283804 /nfs/dbraw/zinc/28/38/04/526283804.db2.gz YURFOEZFVFSVJL-UHFFFAOYSA-N 0 0 354.418 1.124 50 70 FDIARN O=C(NCCc1nc(Cc2ccccc2)no1)c1cc2c([nH]c1=O)CCC2 ZINC000218241504 526459148 /nfs/dbraw/zinc/45/91/48/526459148.db2.gz KQBFPTAYOOBAGJ-UHFFFAOYSA-N 0 0 364.405 1.810 50 70 FDIARN O=C(CCc1ccncc1)N[C@@H]1CCOC[C@H]1Oc1ccc(CO)cc1 ZINC000218147973 526626349 /nfs/dbraw/zinc/62/63/49/526626349.db2.gz OWZOYRPWZIJGGP-RTBURBONSA-N 0 0 356.422 1.859 50 70 FDIARN Cn1c(CO)nnc1[C@@H]1CCCN(C(=O)c2cc(-c3ccsc3)n[nH]2)C1 ZINC000217161780 537452472 /nfs/dbraw/zinc/45/24/72/537452472.db2.gz VSILWERFHCNFJW-LLVKDONJSA-N 0 0 372.454 1.779 50 70 FDIARN CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)c1cnc2ccccn2c1=O ZINC000218012993 537457876 /nfs/dbraw/zinc/45/78/76/537457876.db2.gz FSSBBOOHQUCKLE-CVEARBPZSA-N 0 0 357.410 1.565 50 70 FDIARN CC[C@@]1(O)C(=O)N(c2cccc(C(=O)N[C@@H](C)c3ncnn3C)c2)N=C1C ZINC000218045296 537459697 /nfs/dbraw/zinc/45/96/97/537459697.db2.gz BQWUKZPSUQCHFJ-VOJFVSQTSA-N 0 0 370.413 1.170 50 70 FDIARN Cc1noc(CCNC(=O)c2c(C)cc(C)n(C[C@H]3CCCO3)c2=O)n1 ZINC000218609776 209669518 /nfs/dbraw/zinc/66/95/18/209669518.db2.gz FUEASOIZWOFICQ-CQSZACIVSA-N 0 0 360.414 1.308 50 70 FDIARN Cn1ncnc1[C@@H](NC(=O)CCn1cnc2ccccc2c1=O)C1CC1 ZINC000218270152 209664335 /nfs/dbraw/zinc/66/43/35/209664335.db2.gz LDAUTSJPTNSZLA-INIZCTEOSA-N 0 0 352.398 1.183 50 70 FDIARN COc1cc2nc(C)n(CC(=O)Nc3ccncc3)c(=O)c2cc1OC ZINC000218160948 209663790 /nfs/dbraw/zinc/66/37/90/209663790.db2.gz DKJQFTHIGZZSED-UHFFFAOYSA-N 0 0 354.366 1.756 50 70 FDIARN CN(C)c1cccc(C(=O)N2Cc3cnc(N4CCOCC4)nc3C2)c1 ZINC000217608094 132272404 /nfs/dbraw/zinc/27/24/04/132272404.db2.gz JNHKSUXZKAKPOC-UHFFFAOYSA-N 0 0 353.426 1.535 50 70 FDIARN COc1ccc(-c2n[nH]cc2C(=O)N[C@H](CO)CCSC)cc1OC ZINC000218340105 523183160 /nfs/dbraw/zinc/18/31/60/523183160.db2.gz QXYTXCJLPHVHBL-LBPRGKRZSA-N 0 0 365.455 1.938 50 70 FDIARN Cc1cc(C)n(C[C@H]2CCCO2)c(=O)c1C(=O)NCCNc1ncccn1 ZINC000218482855 524535182 /nfs/dbraw/zinc/53/51/82/524535182.db2.gz DXVBWOAWKKBCLW-OAHLLOKOSA-N 0 0 371.441 1.276 50 70 FDIARN Cc1ccccc1-n1cc(CNC(=O)Cc2c(C)nc(C)[nH]c2=O)cn1 ZINC000217550698 525030412 /nfs/dbraw/zinc/03/04/12/525030412.db2.gz APIASFVJCODQQI-UHFFFAOYSA-N 0 0 351.410 1.740 50 70 FDIARN Cc1noc(C)c1CO[C@H]1CCOC[C@H]1NC(=O)CCCc1cn[nH]c1 ZINC000217997276 526520303 /nfs/dbraw/zinc/52/03/03/526520303.db2.gz LKGVZNFDGHOVFU-SJORKVTESA-N 0 0 362.430 1.828 50 70 FDIARN O=C1CN(c2cc(C3CC(O)C3)ncn2)CCN1Cc1ccccc1F ZINC000218065723 527006927 /nfs/dbraw/zinc/00/69/27/527006927.db2.gz UXEGSWXCBVNNFV-UHFFFAOYSA-N 0 0 356.401 1.703 50 70 FDIARN Cn1ccnc1[C@@H](O)c1cc2n(n1)CCN(C(=O)COc1ccccc1)C2 ZINC000218448325 527456861 /nfs/dbraw/zinc/45/68/61/527456861.db2.gz WOYHDPIECCAICR-SFHVURJKSA-N 0 0 367.409 1.120 50 70 FDIARN Cc1c(C(=O)N2CCCn3nc([C@H](C)O)cc3C2)sc2[nH]cnc(=O)c12 ZINC000216942269 537452401 /nfs/dbraw/zinc/45/24/01/537452401.db2.gz QYKZLTNKJRHDCI-JTQLQIEISA-N 0 0 373.438 1.589 50 70 FDIARN Cn1cnc(S(=O)(=O)N[C@@H]2COCC[C@@H]2OCc2ccccc2)c1 ZINC000218014411 537457223 /nfs/dbraw/zinc/45/72/23/537457223.db2.gz HAUWESNDCQDQMW-CABCVRRESA-N 0 0 351.428 1.073 50 70 FDIARN Cc1noc(C)c1CO[C@@H]1COCC[C@H]1NC(=O)c1csnc1N ZINC000218637094 537465924 /nfs/dbraw/zinc/46/59/24/537465924.db2.gz INRUYXAWGGKIOB-CHWSQXEVSA-N 0 0 352.416 1.434 50 70 FDIARN O=C(c1ccc(N2CCCC2=O)cc1)N1CCCn2nc(CO)cc2C1 ZINC000217555413 209659192 /nfs/dbraw/zinc/65/91/92/209659192.db2.gz OOEMJUIWIKAXSO-UHFFFAOYSA-N 0 0 354.410 1.548 50 70 FDIARN CC(=O)c1c(C)nn(CC(=O)N2CCCO[C@@H](Cn3cccn3)C2)c1C ZINC000218124250 518236309 /nfs/dbraw/zinc/23/63/09/518236309.db2.gz KXBJKWLCEFOEOI-MRXNPFEDSA-N 0 0 359.430 1.217 50 70 FDIARN CN(CC(=O)N1CCCC[C@H]1CN1CCOCC1)Cc1ccccc1F ZINC000218181493 522432122 /nfs/dbraw/zinc/43/21/22/522432122.db2.gz FAHPNCXSVLQZBE-SFHVURJKSA-N 0 0 363.477 1.971 50 70 FDIARN COC(=O)Nc1ccc(S(=O)(=O)NCC[C@H](O)c2cccn2C)cc1 ZINC000217944677 523469903 /nfs/dbraw/zinc/46/99/03/523469903.db2.gz WIXKLBNNETZMMZ-HNNXBMFYSA-N 0 0 367.427 1.605 50 70 FDIARN CS(=O)(=O)N[C@H]1CCN(C(=O)NCC2(Cc3ccccc3)CC2)C1 ZINC000160831951 524980248 /nfs/dbraw/zinc/98/02/48/524980248.db2.gz AGHCLHHRTKCYHC-HNNXBMFYSA-N 0 0 351.472 1.342 50 70 FDIARN COc1ccc([C@@H](NC(=O)CCc2[nH]nc(C)c2C)[C@H]2C[C@@H](O)C2)cn1 ZINC000218491746 525192534 /nfs/dbraw/zinc/19/25/34/525192534.db2.gz BNTFDRVHFATSIB-SPYBWZPUSA-N 0 0 358.442 1.991 50 70 FDIARN CSCc1ccc(C(=O)N2CCN(c3ccnc4nncn43)CC2)o1 ZINC000217001261 525724096 /nfs/dbraw/zinc/72/40/96/525724096.db2.gz NNACIWVNGFFMSV-UHFFFAOYSA-N 0 0 358.427 1.543 50 70 FDIARN O=C(NCCNS(=O)(=O)c1ccc(Cl)cc1)[C@H]1CCC[C@@H](O)C1 ZINC000218085971 526337044 /nfs/dbraw/zinc/33/70/44/526337044.db2.gz NXPLBLIYWGRKKM-WCQYABFASA-N 0 0 360.863 1.286 50 70 FDIARN O=C(CN1CCCC1=O)N[C@H](c1cnc2ccccc2c1)C1CC(O)C1 ZINC000218294085 526735189 /nfs/dbraw/zinc/73/51/89/526735189.db2.gz SPIBRHDOKDJHNF-SGHGTVFPSA-N 0 0 353.422 1.785 50 70 FDIARN NC(=O)Cc1nc(Cc2cccnc2)n(Cc2ccc3c(c2)OCO3)n1 ZINC000217183521 526912595 /nfs/dbraw/zinc/91/25/95/526912595.db2.gz CSVZAJYCWRWEAJ-UHFFFAOYSA-N 0 0 351.366 1.069 50 70 FDIARN Cn1cc([C@@H](Nc2cncc(C(=O)N3CCCC3)n2)[C@H]2C[C@@H](O)C2)cn1 ZINC000218034496 527295371 /nfs/dbraw/zinc/29/53/71/527295371.db2.gz ZHQMTELCGNWWSZ-JDFRZJQESA-N 0 0 356.430 1.370 50 70 FDIARN O=C(N[C@H]1CC(=O)N(Cc2ccccc2)C1)c1cc2c([nH]c1=O)CCC2 ZINC000218061649 537459783 /nfs/dbraw/zinc/45/97/83/537459783.db2.gz QHMJUCUFYPQOJH-HNNXBMFYSA-N 0 0 351.406 1.395 50 70 FDIARN CC[C@@]1(O)C(=O)N(c2cccc(C(=O)N[C@H](C)c3ncnn3C)c2)N=C1C ZINC000218045461 537459879 /nfs/dbraw/zinc/45/98/79/537459879.db2.gz BQWUKZPSUQCHFJ-ZMZPIMSZSA-N 0 0 370.413 1.170 50 70 FDIARN Cn1nnc(-c2cccc(NC(=O)Cn3cnc4ccsc4c3=O)c2)n1 ZINC000218255494 537461963 /nfs/dbraw/zinc/46/19/63/537461963.db2.gz BKNIDTKNTVIVGK-UHFFFAOYSA-N 0 0 367.394 1.287 50 70 FDIARN Cc1nc(=O)[nH]c(C)c1CCC(=O)N1Cc2ccccc2C[C@H]1C(N)=O ZINC000218347785 537463512 /nfs/dbraw/zinc/46/35/12/537463512.db2.gz BLWXWBVNICJEKZ-INIZCTEOSA-N 0 0 354.410 1.170 50 70 FDIARN O=C(N[C@@H]1CCOC[C@H]1OCc1cscn1)c1cc(Cl)c[nH]c1=O ZINC000218585710 537464013 /nfs/dbraw/zinc/46/40/13/537464013.db2.gz FPRIAXCLPYQFKR-CHWSQXEVSA-N 0 0 369.830 1.589 50 70 FDIARN COC(=O)CCNC(=O)c1cn(-c2ccccn2)c(=O)c2ccccc12 ZINC000218616130 537465600 /nfs/dbraw/zinc/46/56/00/537465600.db2.gz JGRFORBMXXBQRM-UHFFFAOYSA-N 0 0 351.362 1.679 50 70 FDIARN Cc1nc2ncccn2c1C(=O)N[C@@H]1CCOC[C@H]1Oc1ccccn1 ZINC000218641867 537465753 /nfs/dbraw/zinc/46/57/53/537465753.db2.gz ZGLKHBVTAYSLBD-ZIAGYGMSSA-N 0 0 353.382 1.399 50 70 FDIARN Cc1nc(CC(=O)N[C@H]2C[C@H](c3cc(N4CC[C@@H](O)C4)ncn3)C2)cs1 ZINC000218731958 568248679 /nfs/dbraw/zinc/24/86/79/568248679.db2.gz ZPOAKYJFKPOPBU-VNHYZAJKSA-N 0 0 373.482 1.417 50 70 FDIARN O=C(C[C@H]1C=CS(=O)(=O)C1)N1CCN(c2nc3ccccc3o2)CC1 ZINC000217090247 222669463 /nfs/dbraw/zinc/66/94/63/222669463.db2.gz PPKRPGQFLUXPMT-CYBMUJFWSA-N 0 0 361.423 1.425 50 70 FDIARN Cc1cc2c(ncnc2N[C@H]2[C@H]3CCO[C@H]3[C@@H]2NS(C)(=O)=O)s1 ZINC000218386671 209666410 /nfs/dbraw/zinc/66/64/10/209666410.db2.gz FRBUPEJSJKUROD-SASUGWTJSA-N 0 0 354.457 1.117 50 70 FDIARN O=C(Cc1c[nH]c2ccccc12)N1Cc2cnc(N3CCOCC3)nc2C1 ZINC000217614091 132272421 /nfs/dbraw/zinc/27/24/21/132272421.db2.gz JYKYXAQTXQAUDN-UHFFFAOYSA-N 0 0 363.421 1.879 50 70 FDIARN CO[C@@H]1CCOC[C@H]1NS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O ZINC000218778623 132273291 /nfs/dbraw/zinc/27/32/91/132273291.db2.gz HNWLURWNXCKJHN-NVXWUHKLSA-N 0 0 368.455 1.068 50 70 FDIARN CCCN1C(=O)N[C@H](CC(=O)NCCc2nc3c(cccc3C)[nH]2)C1=O ZINC000216967291 521701138 /nfs/dbraw/zinc/70/11/38/521701138.db2.gz YEXRBMHAWWWJCV-CYBMUJFWSA-N 0 0 357.414 1.251 50 70 FDIARN CCc1nc(C)ccc1OCC(=O)N1CCC[C@@H](c2nnc(CO)n2C)C1 ZINC000217908577 522239944 /nfs/dbraw/zinc/23/99/44/522239944.db2.gz VQXYBVGTECLADH-CQSZACIVSA-N 0 0 373.457 1.358 50 70 FDIARN CN(CC(=O)NC[C@H]1CC(=O)N(C)c2ccccc21)Cc1ccccn1 ZINC000217541055 522481779 /nfs/dbraw/zinc/48/17/79/522481779.db2.gz IXKIXMNJCXWDNY-OAHLLOKOSA-N 0 0 352.438 1.780 50 70 FDIARN C[C@@H](O)c1cc2n(n1)CCCN(C(=O)CCc1[nH]nc3c1CCCC3)C2 ZINC000217207103 525864327 /nfs/dbraw/zinc/86/43/27/525864327.db2.gz MMBULCBJWPRNLJ-CYBMUJFWSA-N 0 0 357.458 1.903 50 70 FDIARN CSc1ncc(C(=O)NC[C@@H](c2cccnc2)N2CCOCC2)cn1 ZINC000218373551 526220062 /nfs/dbraw/zinc/22/00/62/526220062.db2.gz WFRMHQZFZACDIJ-HNNXBMFYSA-N 0 0 359.455 1.397 50 70 FDIARN O=C(c1ccc(N2CCCC2)cc1)N1CCn2nc([C@H](O)CO)cc2C1 ZINC000217536480 526698287 /nfs/dbraw/zinc/69/82/87/526698287.db2.gz WNIXJWQTOAGWOT-GOSISDBHSA-N 0 0 356.426 1.165 50 70 FDIARN O=C(CN1CCCCC1=O)N[C@@H]1COCC[C@@H]1Oc1cccc(F)c1 ZINC000218414617 526739284 /nfs/dbraw/zinc/73/92/84/526739284.db2.gz MPGUQSGZAZQGJX-CVEARBPZSA-N 0 0 350.390 1.491 50 70 FDIARN Cc1nc(S(=O)(=O)N2CCC[C@H](Cc3nc(C4CC4)no3)C2)cn1C ZINC000217825018 527009427 /nfs/dbraw/zinc/00/94/27/527009427.db2.gz CNVBKLKPQDTXPH-GFCCVEGCSA-N 0 0 365.459 1.632 50 70 FDIARN Cc1ncsc1CCCNC(=O)[C@@H](Cc1ccccc1)n1cnnn1 ZINC000218366646 527485492 /nfs/dbraw/zinc/48/54/92/527485492.db2.gz RHPHUUFWUVWORY-OAHLLOKOSA-N 0 0 356.455 1.971 50 70 FDIARN CC(C)Cc1cc(C(=O)N(C)Cc2nc(-c3ccncc3)no2)nc(N)n1 ZINC000216944309 537451438 /nfs/dbraw/zinc/45/14/38/537451438.db2.gz SJBXVVGSRTXWAL-UHFFFAOYSA-N 0 0 367.413 1.975 50 70 FDIARN O=C(CCc1cc(Cl)no1)NC[C@H](c1ccccn1)N1CCOCC1 ZINC000217158800 537452655 /nfs/dbraw/zinc/45/26/55/537452655.db2.gz DCCLCDQTFVJVGY-OAHLLOKOSA-N 0 0 364.833 1.845 50 70 FDIARN COc1cc(OC)c([C@@H](CC(N)=O)c2oc(C)cc(=O)c2O)cc1OC ZINC000217593060 537454986 /nfs/dbraw/zinc/45/49/86/537454986.db2.gz ZDPJSBDGLPBNDV-LLVKDONJSA-N 0 0 363.366 1.687 50 70 FDIARN CN(C)C(=O)CO[C@H]1CCOC[C@H]1NC(=O)c1ccc2ccccc2n1 ZINC000218434551 537463320 /nfs/dbraw/zinc/46/33/20/537463320.db2.gz TYKANQBTGDYLKT-SJORKVTESA-N 0 0 357.410 1.227 50 70 FDIARN CS(=O)(=O)N1CCN(C(=O)c2cnc3cc(Cl)ccc3c2O)CC1 ZINC000218387533 537463338 /nfs/dbraw/zinc/46/33/38/537463338.db2.gz BKJJLSJJSSESAF-UHFFFAOYSA-N 0 0 369.830 1.311 50 70 FDIARN Nc1nc2c(c(C(=O)N[C@@H](c3ccccn3)[C@H]3C[C@@H](O)C3)n1)CCCC2 ZINC000218526061 537463574 /nfs/dbraw/zinc/46/35/74/537463574.db2.gz CZRMEQBNTQFRHN-XHBSWPGZSA-N 0 0 353.426 1.575 50 70 FDIARN CC[C@H](O)c1cc2n(n1)CCCN(C(=O)c1nnc3n1CCCCC3)C2 ZINC000216923760 568154740 /nfs/dbraw/zinc/15/47/40/568154740.db2.gz SFMKGHVEIWGJTO-HNNXBMFYSA-N 0 0 358.446 1.691 50 70 FDIARN Cn1cc(C(=O)N[C@@H]2COCC[C@@H]2OCC2CC2)c(=O)c2ccccc21 ZINC000218734184 568248751 /nfs/dbraw/zinc/24/87/51/568248751.db2.gz GPEOTOASVIDTQC-AEFFLSMTSA-N 0 0 356.422 1.852 50 70 FDIARN Cc1cc(=O)c(C(=O)N[C@@H]2COCC[C@H]2Oc2ccc(CO)cc2)c[nH]1 ZINC000218743054 568249393 /nfs/dbraw/zinc/24/93/93/568249393.db2.gz DECLXMUKAYTNRC-SJLPKXTDSA-N 0 0 358.394 1.142 50 70 FDIARN CCOc1ccc(CC(=O)N2Cc3cnc(N4CCOCC4)nc3C2)cc1 ZINC000217608525 520936913 /nfs/dbraw/zinc/93/69/13/520936913.db2.gz FYNYCLSLOBTNOP-UHFFFAOYSA-N 0 0 368.437 1.797 50 70 FDIARN CCCN1C(=O)N[C@@H](CC(=O)NCCc2nc3c(cccc3C)[nH]2)C1=O ZINC000216967277 521700601 /nfs/dbraw/zinc/70/06/01/521700601.db2.gz YEXRBMHAWWWJCV-ZDUSSCGKSA-N 0 0 357.414 1.251 50 70 FDIARN CN(C)c1ccc(CC(=O)N2CCC[C@H](c3nnc(CO)n3C)C2)cc1 ZINC000217761651 522158562 /nfs/dbraw/zinc/15/85/62/522158562.db2.gz YFKYBBJKHQXNSJ-HNNXBMFYSA-N 0 0 357.458 1.322 50 70 FDIARN COC(=O)CS[C@H]1CCN(C(=O)Cc2ccc(NC(C)=O)cc2)C1 ZINC000217562061 523247602 /nfs/dbraw/zinc/24/76/02/523247602.db2.gz RWISNSWDFQQRHB-HNNXBMFYSA-N 0 0 350.440 1.695 50 70 FDIARN CCn1ncc(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(CO)cc2)c1C ZINC000218208486 523688180 /nfs/dbraw/zinc/68/81/80/523688180.db2.gz ILIWRPWAFQIGGV-QZTJIDSGSA-N 0 0 359.426 1.670 50 70 FDIARN COc1ccccc1CCNC(=O)CN1CCn2nc([C@@H](C)O)cc2C1 ZINC000217441542 524410769 /nfs/dbraw/zinc/41/07/69/524410769.db2.gz WEAMYPXNTXMGJC-CQSZACIVSA-N 0 0 358.442 1.120 50 70 FDIARN C[C@H](NC(=O)c1coc(S(=O)(=O)N(C)C)c1)c1nc2ccccc2[nH]1 ZINC000161127518 525039070 /nfs/dbraw/zinc/03/90/70/525039070.db2.gz FFIIWHKLNDLVRL-JTQLQIEISA-N 0 0 362.411 1.897 50 70 FDIARN Cc1cc(N)n(CC(=O)N[C@H](c2ccc3c(c2)CCO3)C2CC(O)C2)n1 ZINC000218473305 525041903 /nfs/dbraw/zinc/04/19/03/525041903.db2.gz LOGUJSIXJXGDOQ-JFIBYHEFSA-N 0 0 356.426 1.337 50 70 FDIARN C[C@@H](O)c1cc2n(n1)CCN(C(=O)c1cnc(CN3CCCC3)s1)C2 ZINC000216968772 525863855 /nfs/dbraw/zinc/86/38/55/525863855.db2.gz QYPYIBXAFUPJGB-GFCCVEGCSA-N 0 0 361.471 1.645 50 70 FDIARN NC(=O)C[C@H](c1ccsc1)c1oc(CN2CCOCC2)cc(=O)c1O ZINC000218552685 526908308 /nfs/dbraw/zinc/90/83/08/526908308.db2.gz QNVUNSGMHASSKL-CYBMUJFWSA-N 0 0 364.423 1.246 50 70 FDIARN O=S(=O)(NCC[C@H](O)C1CCOCC1)c1ccc(F)c(Cl)c1 ZINC000217924468 527218984 /nfs/dbraw/zinc/21/89/84/527218984.db2.gz VYBKHIWZZTUBBI-AWEZNQCLSA-N 0 0 351.827 1.935 50 70 FDIARN O=C(Cn1ccc2ccccc21)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 ZINC000217730789 527381177 /nfs/dbraw/zinc/38/11/77/527381177.db2.gz OANCYRTZNFAPPU-IRXDYDNUSA-N 0 0 363.417 1.803 50 70 FDIARN O=C(CN1CCOc2ccccc2C1)N1CCCO[C@@H](Cn2cccn2)C1 ZINC000216927159 537451871 /nfs/dbraw/zinc/45/18/71/537451871.db2.gz YQLYGFICRJYVNC-GOSISDBHSA-N 0 0 370.453 1.395 50 70 FDIARN O=S(=O)([N-]c1ncc(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@H]3O)cn1)c1ccccc1 ZINC000217155544 537453150 /nfs/dbraw/zinc/45/31/50/537453150.db2.gz FHPLTPWEYWACAZ-QLPKVWCKSA-N 0 0 374.466 1.480 50 70 FDIARN C[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1ccc3oc(=O)n(C)c3c1)C2 ZINC000217102729 537453193 /nfs/dbraw/zinc/45/31/93/537453193.db2.gz YCYVELMUIOXOPC-LLVKDONJSA-N 0 0 356.382 1.427 50 70 FDIARN C[C@H](O)c1cc2n(n1)CCN(C(=O)c1cnc3ccc(F)cc3c1O)C2 ZINC000217207039 537453546 /nfs/dbraw/zinc/45/35/46/537453546.db2.gz PNBOYHWZEXKPFJ-JTQLQIEISA-N 0 0 356.357 1.985 50 70 FDIARN C[C@](O)(CNC(=O)C(=O)Nc1ccc2c(c1)OCCO2)Cc1ccco1 ZINC000217283171 537454137 /nfs/dbraw/zinc/45/41/37/537454137.db2.gz IETPDALNSFHFJJ-GOSISDBHSA-N 0 0 360.366 1.099 50 70 FDIARN COC(=O)CS[C@@H]1CCN(C(=O)c2cncc(Br)c2)C1 ZINC000217563001 537454683 /nfs/dbraw/zinc/45/46/83/537454683.db2.gz UFIVJEPLCKFCMV-LLVKDONJSA-N 0 0 359.245 1.965 50 70 FDIARN O=C1[C@H]2CC=CC[C@@H]2C(=O)N1C1CN(S(=O)(=O)CCc2ccccc2)C1 ZINC000217738487 537456611 /nfs/dbraw/zinc/45/66/11/537456611.db2.gz QEMHKVFNMZWADB-IRXDYDNUSA-N 0 0 374.462 1.194 50 70 FDIARN Cc1ccc2[nH]c(C(=O)N3CCCn4nc([C@@H](O)CO)cc4C3)nc2c1 ZINC000217956240 537457150 /nfs/dbraw/zinc/45/71/50/537457150.db2.gz AJBWVKMAQHDHHT-INIZCTEOSA-N 0 0 355.398 1.140 50 70 FDIARN Cc1ccc(S(=O)(=O)N[C@@H]2COCC[C@H]2Oc2ccccn2)s1 ZINC000218764963 537467628 /nfs/dbraw/zinc/46/76/28/537467628.db2.gz XDAPRYNOSAWQIJ-CHWSQXEVSA-N 0 0 354.453 1.966 50 70 FDIARN Cc1onc(C(=O)N[C@@H]2COCC[C@@H]2OCc2cscn2)c1CO ZINC000218767839 537468107 /nfs/dbraw/zinc/46/81/07/537468107.db2.gz AYVOSJGRUOQESJ-OLZOCXBDSA-N 0 0 353.400 1.036 50 70 FDIARN CC[C@@H](O)c1cc2n(n1)CCN(C(=O)c1nc(N)nc3c1CCCC3)C2 ZINC000217456470 568184914 /nfs/dbraw/zinc/18/49/14/568184914.db2.gz QFZOJFRMRSABDU-OAHLLOKOSA-N 0 0 356.430 1.234 50 70 FDIARN O=C(N[C@@H]1COCC[C@H]1Oc1ccccn1)c1cnc(C2CC2)[nH]c1=O ZINC000218751699 568249943 /nfs/dbraw/zinc/24/99/43/568249943.db2.gz VDKLQOWSGJXUJD-ZIAGYGMSSA-N 0 0 356.382 1.009 50 70 FDIARN O=C1CSC(=O)N1C1CN(S(=O)(=O)c2ccc(F)c(Cl)c2)C1 ZINC000217749408 209661943 /nfs/dbraw/zinc/66/19/43/209661943.db2.gz FXFJJBAZJWLJHM-UHFFFAOYSA-N 0 0 364.807 1.547 50 70 FDIARN O=C(N[C@@H]1CCOC2(CCOCC2)C1)c1ccccc1N1CCOCC1 ZINC000217679155 132272409 /nfs/dbraw/zinc/27/24/09/132272409.db2.gz HWQJJHMIJQYROI-MRXNPFEDSA-N 0 0 360.454 1.981 50 70 FDIARN COCc1cc(N2CCn3nc([C@@H](O)c4ccccc4)cc3C2)ncn1 ZINC000217455294 522929454 /nfs/dbraw/zinc/92/94/54/522929454.db2.gz SWZRLNDUTJGLFL-IBGZPJMESA-N 0 0 351.410 1.921 50 70 FDIARN COCCCn1c(C)cc(C)c(C(=O)NCCn2nc(C)cc2C)c1=O ZINC000218469734 523499557 /nfs/dbraw/zinc/49/95/57/523499557.db2.gz JAXNXOWWFSNURM-UHFFFAOYSA-N 0 0 360.458 1.745 50 70 FDIARN COc1ccc(C(=O)CNC(=O)C[C@H]2Oc3ccccc3NC2=O)cc1 ZINC000218286111 523586569 /nfs/dbraw/zinc/58/65/69/523586569.db2.gz JBCQMNKIQNBWKP-QGZVFWFLSA-N 0 0 354.362 1.784 50 70 FDIARN Cc1ccc(CCNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccc(F)cc2)o1 ZINC000218042344 524326951 /nfs/dbraw/zinc/32/69/51/524326951.db2.gz PRTGTJNEHNXLIR-GOSISDBHSA-N 0 0 373.428 1.777 50 70 FDIARN COc1ccc(OCC2CCN(C(=O)c3cn(C)c(=O)[nH]c3=O)CC2)cc1 ZINC000218497030 524937157 /nfs/dbraw/zinc/93/71/57/524937157.db2.gz KFYSKHDEDLQRGR-UHFFFAOYSA-N 0 0 373.409 1.013 50 70 FDIARN O=C(NCCn1cnc2ccccc21)[C@H](Cc1ccccc1)n1cnnn1 ZINC000218189660 526475198 /nfs/dbraw/zinc/47/51/98/526475198.db2.gz XUQGOPBEXBNUFH-SFHVURJKSA-N 0 0 361.409 1.623 50 70 FDIARN O=C(COc1ccc(F)cc1)N1CC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 ZINC000217722484 526957800 /nfs/dbraw/zinc/95/78/00/526957800.db2.gz MGIBUYODHRLXBR-HZPDHXFCSA-N 0 0 358.369 1.367 50 70 FDIARN O=C(Cc1ccc2c(c1)OCO2)N[C@H](Cc1ccncc1)[C@H]1C[C@@H](O)C1 ZINC000218282985 527253991 /nfs/dbraw/zinc/25/39/91/527253991.db2.gz PKTUJLFODXNOJS-BRWVUGGUSA-N 0 0 354.406 1.851 50 70 FDIARN Cc1ccc(OCc2occc2C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)cc1 ZINC000217591441 537454789 /nfs/dbraw/zinc/45/47/89/537454789.db2.gz SZGNFRAYCAUEOL-HUUCEWRRSA-N 0 0 365.407 1.055 50 70 FDIARN Cc1cc2ncc3c(n2n1)CCN(C(=O)Cn1c(=O)oc2ccccc21)C3 ZINC000217711482 537455267 /nfs/dbraw/zinc/45/52/67/537455267.db2.gz PZMAEXUWDLOOJK-UHFFFAOYSA-N 0 0 363.377 1.531 50 70 FDIARN O=C(c1cc(-c2ccco2)n[nH]1)N1CC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 ZINC000217733639 537458025 /nfs/dbraw/zinc/45/80/25/537458025.db2.gz UDNJIJXVDHVRAP-CHWSQXEVSA-N 0 0 366.377 1.445 50 70 FDIARN Cc1nc2ncccn2c1C(=O)N[C@@H](Cc1ccncc1)[C@H]1C[C@@H](O)C1 ZINC000218598203 537464267 /nfs/dbraw/zinc/46/42/67/537464267.db2.gz NMBONOVMTZIFHM-JYJNAYRXSA-N 0 0 351.410 1.545 50 70 FDIARN CN(CC(=O)N[C@@H]1CCOC[C@H]1OCC1CC1)Cc1ccccc1F ZINC000218615997 537466069 /nfs/dbraw/zinc/46/60/69/537466069.db2.gz YFPIQZJDDGFJQT-QZTJIDSGSA-N 0 0 350.434 1.958 50 70 FDIARN COc1cc2c(cc1OC)CN(C(=O)Cn1ccc(=O)c(OC)c1C)CC2 ZINC000218104796 210175903 /nfs/dbraw/zinc/17/59/03/210175903.db2.gz ZTOYHRPKASDHQD-UHFFFAOYSA-N 0 0 372.421 1.767 50 70 FDIARN CSc1ncccc1C(=O)NC1CCN(C(=O)N2CCOCC2)CC1 ZINC000217622266 222672762 /nfs/dbraw/zinc/67/27/62/222672762.db2.gz LGDCZEIJFNCQLT-UHFFFAOYSA-N 0 0 364.471 1.450 50 70 FDIARN CC(C)c1cc(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(C(N)=O)cc2)on1 ZINC000218565974 222684183 /nfs/dbraw/zinc/68/41/83/222684183.db2.gz JJBNUDSRTPDQIF-RHSMWYFYSA-N 0 0 373.409 1.863 50 70 FDIARN CN(C)C(=O)CO[C@H]1CCOC[C@H]1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000218591084 222684325 /nfs/dbraw/zinc/68/43/25/222684325.db2.gz PBVWVOAWEAZCEX-SJORKVTESA-N 0 0 362.470 1.976 50 70 FDIARN O=C(N[C@H](c1nc[nH]n1)c1cccc(C(F)(F)F)c1)N1CCOCC1 ZINC000161078382 525029639 /nfs/dbraw/zinc/02/96/39/525029639.db2.gz PZVDPGGDBIWKTQ-LBPRGKRZSA-N 0 0 355.320 1.955 50 70 FDIARN O=C(CC1=CSC2=NCCCN12)NCc1nnnn1-c1ccccc1 ZINC000217819300 526340261 /nfs/dbraw/zinc/34/02/61/526340261.db2.gz VNSQOUZQULGCCW-UHFFFAOYSA-N 0 0 355.427 1.319 50 70 FDIARN Cc1noc(C)c1S(=O)(=O)N[C@@H](Cc1ccncc1)C1CC(O)C1 ZINC000217997385 526555374 /nfs/dbraw/zinc/55/53/74/526555374.db2.gz ZJUPUMXJOOQTQX-NRXISQOPSA-N 0 0 351.428 1.347 50 70 FDIARN Nc1ccsc1C(=O)N[C@H]1C[C@H](c2cc(N3CC[C@H](O)C3)ncn2)C1 ZINC000218030919 527535356 /nfs/dbraw/zinc/53/53/56/527535356.db2.gz DRZWHXQHIORFSF-TUAOUCFPSA-N 0 0 359.455 1.367 50 70 FDIARN Cn1cc(C(=O)N2CCCO[C@H](CN3CCOCC3)C2)c2ccccc21 ZINC000216976935 537452144 /nfs/dbraw/zinc/45/21/44/537452144.db2.gz YNSPQPVIGLEEFV-MRXNPFEDSA-N 0 0 357.454 1.742 50 70 FDIARN C[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1nc3ccccc3[nH]c1=O)C2 ZINC000217148853 537452844 /nfs/dbraw/zinc/45/28/44/537452844.db2.gz APVYWTDWDLYOHU-LLVKDONJSA-N 0 0 353.382 1.219 50 70 FDIARN COc1ccc2c(c1)CCC[C@]2(O)CNC(=O)C(=O)Nc1cccnc1 ZINC000218011007 537456749 /nfs/dbraw/zinc/45/67/49/537456749.db2.gz YVRLQIUACQNAGW-IBGZPJMESA-N 0 0 355.394 1.369 50 70 FDIARN Cc1nnc([C@@H]2CCCN(C(=O)CN3CCOc4ccccc4C3)C2)[nH]1 ZINC000217808369 537457962 /nfs/dbraw/zinc/45/79/62/537457962.db2.gz YYTLPDFJNLGYSW-MRXNPFEDSA-N 0 0 355.442 1.714 50 70 FDIARN CCOC(=O)Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1cc(F)c(F)c(F)c1 ZINC000218302640 537463206 /nfs/dbraw/zinc/46/32/06/537463206.db2.gz IMJINAGXVCFQOY-QMMMGPOBSA-N 0 0 371.315 1.233 50 70 FDIARN COCCc1noc([C@@H]2CCCCN2C(=O)c2ccc3n[nH]nc3c2)n1 ZINC000218691067 537465365 /nfs/dbraw/zinc/46/53/65/537465365.db2.gz LGRRXSWJWYMDLE-AWEZNQCLSA-N 0 0 356.386 1.897 50 70 FDIARN CCc1c(C)nn(CCNC(=O)[C@@H](C)Sc2nc(C)cc(=O)[nH]2)c1C ZINC000218710998 537465555 /nfs/dbraw/zinc/46/55/55/537465555.db2.gz YDIPRHDBLSNCFV-CYBMUJFWSA-N 0 0 363.487 1.751 50 70 FDIARN CNc1nc(N2CCn3nc([C@@H](O)c4ccccc4)cc3C2)ncc1F ZINC000217211457 132272049 /nfs/dbraw/zinc/27/20/49/132272049.db2.gz SCPIRHWMDQSONK-INIZCTEOSA-N 0 0 354.389 1.956 50 70 FDIARN Cc1ncnc(N2CCN(C(=O)c3scc4c3OCCO4)CC2)c1C ZINC000218362213 132272742 /nfs/dbraw/zinc/27/27/42/132272742.db2.gz QSNXGWIYTVKFDM-UHFFFAOYSA-N 0 0 360.439 1.889 50 70 FDIARN CCOCCOc1cccc(C(=O)N2CCN(c3ncc[nH]c3=O)CC2)c1 ZINC000218341808 520042421 /nfs/dbraw/zinc/04/24/21/520042421.db2.gz PRSOVKVMUWJXNF-UHFFFAOYSA-N 0 0 372.425 1.148 50 70 FDIARN COCCCNC(=O)C[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O ZINC000217649295 523330822 /nfs/dbraw/zinc/33/08/22/523330822.db2.gz VYSVDBLANRYWPF-INIZCTEOSA-N 0 0 372.425 1.174 50 70 FDIARN COc1ccc(C(=O)N[C@H]2C[C@H](c3cc(N4CC[C@H](O)C4)ncn3)C2)o1 ZINC000218173398 523742157 /nfs/dbraw/zinc/74/21/57/523742157.db2.gz RLHIWEARUORBIT-XQQFMLRXSA-N 0 0 358.398 1.325 50 70 FDIARN COc1ccc(N2C(=O)N[C@@H](CC(=O)NCc3cccn3C)C2=O)cc1 ZINC000218525925 524396294 /nfs/dbraw/zinc/39/62/94/524396294.db2.gz WMQLLVJXFFQJSE-HNNXBMFYSA-N 0 0 356.382 1.165 50 70 FDIARN COc1ccccc1N1C[C@@H](C(=O)N[C@H](CO)CCSC)CC1=O ZINC000218212582 524579063 /nfs/dbraw/zinc/57/90/63/524579063.db2.gz XXDMNLOLXLYKJE-STQMWFEESA-N 0 0 352.456 1.278 50 70 FDIARN O=C(N[C@@H](c1nc[nH]n1)c1cccc(C(F)(F)F)c1)N1CCOCC1 ZINC000161078522 525029377 /nfs/dbraw/zinc/02/93/77/525029377.db2.gz PZVDPGGDBIWKTQ-GFCCVEGCSA-N 0 0 355.320 1.955 50 70 FDIARN O=C(CCS(=O)(=O)c1ccccc1)NCC[C@H](O)C1CCOCC1 ZINC000217920210 526538734 /nfs/dbraw/zinc/53/87/34/526538734.db2.gz BHERXNYWNUNMMW-INIZCTEOSA-N 0 0 355.456 1.144 50 70 FDIARN O=C(COc1cccc(-n2cnnn2)c1)N1CCC[C@@H](Cn2ccnc2)C1 ZINC000218013109 526974823 /nfs/dbraw/zinc/97/48/23/526974823.db2.gz CIWMXIQGZYEFIC-HNNXBMFYSA-N 0 0 367.413 1.176 50 70 FDIARN Cc1ncn(CCNC(=O)C[C@H]2CN(Cc3ccccc3)CCO2)c1C ZINC000218049599 527462009 /nfs/dbraw/zinc/46/20/09/527462009.db2.gz XXCMJZGARBVEFS-IBGZPJMESA-N 0 0 356.470 1.907 50 70 FDIARN OC[C@@H](O)c1cc2n(n1)CCCN(Cc1c[nH]nc1-c1ccc(F)cc1)C2 ZINC000218061199 527585466 /nfs/dbraw/zinc/58/54/66/527585466.db2.gz YTHHOQVEDKWFGC-GOSISDBHSA-N 0 0 371.416 1.844 50 70 FDIARN COc1ccc(C(=O)NC2CCN(C(=O)N3CCOCC3)CC2)cc1C ZINC000217520064 537455543 /nfs/dbraw/zinc/45/55/43/537455543.db2.gz OMVOBHSVNACPTE-UHFFFAOYSA-N 0 0 361.442 1.650 50 70 FDIARN Cc1nonc1CC(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000217718595 537456551 /nfs/dbraw/zinc/45/65/51/537456551.db2.gz QHFUDHGKKGYPFM-UHFFFAOYSA-N 0 0 362.337 1.140 50 70 FDIARN O=C(CCc1ccccc1Br)N1CC(N2C(=O)CCC2=O)C1 ZINC000217716263 537457466 /nfs/dbraw/zinc/45/74/66/537457466.db2.gz OQUSSZGXFXGXQJ-UHFFFAOYSA-N 0 0 365.227 1.742 50 70 FDIARN CN1C[C@]2(CCCN(C(=O)CN3CCc4ccccc4C3)CC2)OC1=O ZINC000217944593 537457915 /nfs/dbraw/zinc/45/79/15/537457915.db2.gz JEOUHODVMORVFX-HXUWFJFHSA-N 0 0 357.454 1.878 50 70 FDIARN Cn1c(=O)[nH]cc(CC(=O)N2CCC[C@@H](c3ccc(Cl)cc3)C2)c1=O ZINC000218209055 537460934 /nfs/dbraw/zinc/46/09/34/537460934.db2.gz RYUGJKXGSWUTQL-CYBMUJFWSA-N 0 0 361.829 1.676 50 70 FDIARN O=C(Nc1ccc2nc[nH]c(=O)c2c1)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000218163500 537461273 /nfs/dbraw/zinc/46/12/73/537461273.db2.gz ASYOOYRLITXDPC-NSHDSACASA-N 0 0 352.350 1.503 50 70 FDIARN CC(C)[C@H](NC(=O)CNC(=O)c1cnccn1)c1nc2ccccc2n1C ZINC000218570584 537463466 /nfs/dbraw/zinc/46/34/66/537463466.db2.gz OMCONXLCKGEYHD-KRWDZBQOSA-N 0 0 366.425 1.607 50 70 FDIARN COCCn1c(C)cc(C)c(C(=O)Nc2ccc3nc[nH]c(=O)c3c2)c1=O ZINC000218490437 537464190 /nfs/dbraw/zinc/46/41/90/537464190.db2.gz DLXLTHYGMBKJLA-UHFFFAOYSA-N 0 0 368.393 1.600 50 70 FDIARN CCC[C@H](NC(C)=O)C(=O)N1CCc2[nH]c(-c3ccc(OC)nc3)nc2C1 ZINC000218627308 537465207 /nfs/dbraw/zinc/46/52/07/537465207.db2.gz ZETWLIIZGHQRLJ-HNNXBMFYSA-N 0 0 371.441 1.670 50 70 FDIARN CCCN1C(=O)N[C@@H](CC(=O)NC2CCN(c3ccccc3)CC2)C1=O ZINC000218015461 521700473 /nfs/dbraw/zinc/70/04/73/521700473.db2.gz MMYCJUWQIGSPAT-INIZCTEOSA-N 0 0 358.442 1.492 50 70 FDIARN COc1ccc(C(=O)CCC(=O)N2CCN(C(=O)c3ccc[nH]3)CC2)cc1 ZINC000218161120 523578254 /nfs/dbraw/zinc/57/82/54/523578254.db2.gz PASHSSPQTDIYGO-UHFFFAOYSA-N 0 0 369.421 1.971 50 70 FDIARN CC[C@]1(O)C(=O)N(c2cccc(C(=O)N[C@@H](C)c3ncnn3C)c2)N=C1C ZINC000218045382 523623162 /nfs/dbraw/zinc/62/31/62/523623162.db2.gz BQWUKZPSUQCHFJ-BBATYDOGSA-N 0 0 370.413 1.170 50 70 FDIARN CS(=O)(=O)N[C@@H]1CCN(C(=O)NCC2(Cc3ccccc3)CC2)C1 ZINC000160831821 524978325 /nfs/dbraw/zinc/97/83/25/524978325.db2.gz AGHCLHHRTKCYHC-OAHLLOKOSA-N 0 0 351.472 1.342 50 70 FDIARN Cc1cc(OC2CN(C(=O)c3cc(=O)c4ccccc4o3)C2)cc(=O)o1 ZINC000217751085 525356196 /nfs/dbraw/zinc/35/61/96/525356196.db2.gz QYSGYLSJDQOPEG-UHFFFAOYSA-N 0 0 353.330 1.958 50 70 FDIARN O=C(CN1CCc2ccccc2C1)NCCc1noc([C@H]2CCCO2)n1 ZINC000217514665 526812575 /nfs/dbraw/zinc/81/25/75/526812575.db2.gz IYBGHNGEVVTBPC-MRXNPFEDSA-N 0 0 356.426 1.638 50 70 FDIARN Cc1cc(=O)n2nc(CC(=O)NCCCn3ccnc3C(C)C)[n-]c2n1 ZINC000217150935 537452356 /nfs/dbraw/zinc/45/23/56/537452356.db2.gz YJOLYARJIYJJFQ-UHFFFAOYSA-N 0 0 357.418 1.207 50 70 FDIARN O=C(C1=Cc2ccccc2OC=C1)N1CCn2nc([C@H](O)CO)cc2C1 ZINC000217359554 537454419 /nfs/dbraw/zinc/45/44/19/537454419.db2.gz FOELKYHZBKJMBM-QGZVFWFLSA-N 0 0 353.378 1.241 50 70 FDIARN COc1cc([C@@H](CC(N)=O)c2oc(C)cc(=O)c2O)cc(OC)c1OC ZINC000217782354 537457056 /nfs/dbraw/zinc/45/70/56/537457056.db2.gz LPFSCGFGACZUSO-LLVKDONJSA-N 0 0 363.366 1.687 50 70 FDIARN Cc1[nH]c2c3c(cccc3F)nn2c(=O)c1CCC(=O)Nc1nc[nH]n1 ZINC000218285936 537461868 /nfs/dbraw/zinc/46/18/68/537461868.db2.gz PHSWVNQNHRJWSW-UHFFFAOYSA-N 0 0 355.333 1.313 50 70 FDIARN O=C(c1cc(-n2cnnn2)ccc1O)N1CC[C@@](O)(c2ccccc2)C1 ZINC000218191069 537462059 /nfs/dbraw/zinc/46/20/59/537462059.db2.gz GFJAOOFGQJMTBL-SFHVURJKSA-N 0 0 351.366 1.102 50 70 FDIARN O=C(Cc1ccsc1)N1CCN(c2cc(-n3cncn3)ncn2)CC1 ZINC000218641146 537465960 /nfs/dbraw/zinc/46/59/60/537465960.db2.gz PDCNQCAZPMKZBY-UHFFFAOYSA-N 0 0 355.427 1.010 50 70 FDIARN CN(C)c1ccccc1C(=O)NC1CCN(C(=O)N2CCOCC2)CC1 ZINC000217157868 222669778 /nfs/dbraw/zinc/66/97/78/222669778.db2.gz VETOILJOODMTHG-UHFFFAOYSA-N 0 0 360.458 1.399 50 70 FDIARN Cc1cc([C@@H]2CCCCN2C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)no1 ZINC000218265093 222679649 /nfs/dbraw/zinc/67/96/49/222679649.db2.gz SMAHTADSFPXDOP-HNNXBMFYSA-N 0 0 354.366 1.880 50 70 FDIARN O=C(CSc1ccncc1)N1Cc2cnc(N3CCOCC3)nc2C1 ZINC000217611892 132272345 /nfs/dbraw/zinc/27/23/45/132272345.db2.gz KCSZJVGLLQHYMW-UHFFFAOYSA-N 0 0 357.439 1.343 50 70 FDIARN CCn1c(CO)nnc1[C@H]1C[C@H](NC(=O)Cn2ccc3ccccc32)C1 ZINC000218131375 523195948 /nfs/dbraw/zinc/19/59/48/523195948.db2.gz GJYHWEOUYPMULE-GASCZTMLSA-N 0 0 353.426 1.807 50 70 FDIARN CN(Cc1cnccn1)C(=O)CCCn1nnc(-c2ccc(F)cc2)n1 ZINC000217039461 523502528 /nfs/dbraw/zinc/50/25/28/523502528.db2.gz HFYFDNUVUJWANV-UHFFFAOYSA-N 0 0 355.377 1.708 50 70 FDIARN Cc1cccc(N(CC(=O)N[C@@H](C)c2cnn(C)c2)S(C)(=O)=O)c1 ZINC000217193825 524522852 /nfs/dbraw/zinc/52/28/52/524522852.db2.gz NEEQJGLKFCZRMJ-ZDUSSCGKSA-N 0 0 350.444 1.372 50 70 FDIARN C[C@@H](Cn1cncn1)NC(=O)c1cnc(SCc2ccccc2)[nH]c1=O ZINC000218390941 524971020 /nfs/dbraw/zinc/97/10/20/524971020.db2.gz SXDGBHDIAJAMLQ-LBPRGKRZSA-N 0 0 370.438 1.885 50 70 FDIARN CS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCOC[C@H]2OCC2CC2)cc1 ZINC000218446762 525246990 /nfs/dbraw/zinc/24/69/90/525246990.db2.gz RFXNOBAOLOVYEE-IAGOWNOFSA-N 0 0 367.467 1.333 50 70 FDIARN Cc1ccc(O[C@H]2COCC[C@H]2NC(=O)Cc2cn3ccsc3n2)cn1 ZINC000218055639 525471936 /nfs/dbraw/zinc/47/19/36/525471936.db2.gz FZROUBQPQGMLHW-CVEARBPZSA-N 0 0 372.450 1.994 50 70 FDIARN C[C@H](O)c1cc2n(n1)CCN(C(=O)COCc1nc3ccccc3[nH]1)C2 ZINC000216957351 525852608 /nfs/dbraw/zinc/85/26/08/525852608.db2.gz GFWSNLUGRKYAHX-LBPRGKRZSA-N 0 0 355.398 1.372 50 70 FDIARN Cc1noc(C)c1CO[C@H]1CCOC[C@H]1NC(=O)CCn1ccnc1C ZINC000218279457 526520212 /nfs/dbraw/zinc/52/02/12/526520212.db2.gz HYXCUYXQLOPYQE-SJORKVTESA-N 0 0 362.430 1.677 50 70 FDIARN Cc1nc(C2CCN(C(=O)CN3CCOc4ccccc4C3)CC2)no1 ZINC000217904801 526775834 /nfs/dbraw/zinc/77/58/34/526775834.db2.gz QFAFZFKHBYIAFL-UHFFFAOYSA-N 0 0 356.426 1.979 50 70 FDIARN O=C(COc1ncnc2ccccc21)N1CCCO[C@H](Cn2cccn2)C1 ZINC000217505896 527003338 /nfs/dbraw/zinc/00/33/38/527003338.db2.gz SBPDTOINWILLFA-HNNXBMFYSA-N 0 0 367.409 1.523 50 70 FDIARN O=C(Cc1ccc(F)cc1Cl)N1CCCn2nc([C@@H](O)CO)cc2C1 ZINC000217604220 527232969 /nfs/dbraw/zinc/23/29/69/527232969.db2.gz PZWUMNDHHRIESJ-INIZCTEOSA-N 0 0 367.808 1.676 50 70 FDIARN O=c1cc(CN2CCOCC2)oc(CN2CCc3ccccc3C2)c1O ZINC000218130818 527478375 /nfs/dbraw/zinc/47/83/75/527478375.db2.gz DAQXLQOZYBVHAB-UHFFFAOYSA-N 0 0 356.422 1.736 50 70 FDIARN CC[C@@H](O)c1cc2n(n1)CCN(C(=O)CCn1nnc3ccccc31)C2 ZINC000217145883 537451815 /nfs/dbraw/zinc/45/18/15/537451815.db2.gz QHFXMXNSKRNDBZ-QGZVFWFLSA-N 0 0 354.414 1.504 50 70 FDIARN CN(C)c1ccc(CCC(=O)N2CCc3c(c(C(N)=O)nn3C)C2)cc1 ZINC000217138056 537451993 /nfs/dbraw/zinc/45/19/93/537451993.db2.gz UCIZXQFIRGWOBE-UHFFFAOYSA-N 0 0 355.442 1.103 50 70 FDIARN O=c1cc(CN2CCCn3nc(CO)cc3C2)nc2sc(C3CC3)nn21 ZINC000217172110 537453840 /nfs/dbraw/zinc/45/38/40/537453840.db2.gz OMKYHFCLZRBWIM-UHFFFAOYSA-N 0 0 372.454 1.123 50 70 FDIARN O=C(Cc1c[nH]c(=O)[nH]c1=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000217583185 537455445 /nfs/dbraw/zinc/45/54/45/537455445.db2.gz JNFHCJZJQPRUJX-AWEZNQCLSA-N 0 0 355.394 1.559 50 70 FDIARN Cc1cc(F)ccc1CN1CCn2nc([C@H](O)CC(=O)N(C)C)cc2C1 ZINC000218356079 537463729 /nfs/dbraw/zinc/46/37/29/537463729.db2.gz JTPGJJQVKRDWRN-GOSISDBHSA-N 0 0 360.433 1.858 50 70 FDIARN O=C(NCc1cccs1)N1CCN(c2cc(-n3cncn3)ncn2)CC1 ZINC000218686838 537465933 /nfs/dbraw/zinc/46/59/33/537465933.db2.gz GAZIJBAAGGSRPL-UHFFFAOYSA-N 0 0 370.442 1.151 50 70 FDIARN O=C(Cn1c(=O)oc2ccccc21)N1CCCO[C@H](Cn2cccn2)C1 ZINC000216914016 568153578 /nfs/dbraw/zinc/15/35/78/568153578.db2.gz SWAUTPRLLULEDU-AWEZNQCLSA-N 0 0 356.382 1.109 50 70 FDIARN Cc1noc(C)c1CO[C@H]1CCOC[C@H]1NC(=O)c1ccc(CO)o1 ZINC000218748014 568249690 /nfs/dbraw/zinc/24/96/90/568249690.db2.gz BXGWDNBVRQLOIK-CABCVRRESA-N 0 0 350.371 1.481 50 70 FDIARN C[C@H](O)c1cc2n(n1)CCCN(CC(=O)N1CCOc3ccccc31)C2 ZINC000217923043 132272750 /nfs/dbraw/zinc/27/27/50/132272750.db2.gz HVSKXBKDMUSDND-AWEZNQCLSA-N 0 0 356.426 1.568 50 70 FDIARN O=C(c1ccc(N2CCCC2)cc1)N1CCN(c2ncc[nH]c2=O)CC1 ZINC000217932424 132272914 /nfs/dbraw/zinc/27/29/14/132272914.db2.gz UGOJQWCWODQJDH-UHFFFAOYSA-N 0 0 353.426 1.333 50 70 FDIARN CCc1cc(N2CCN(C(=O)Cn3ncc4ccccc43)CC2)ncn1 ZINC000218622359 132273192 /nfs/dbraw/zinc/27/31/92/132273192.db2.gz YKPNSKUXFSBMHI-UHFFFAOYSA-N 0 0 350.426 1.738 50 70 FDIARN COC(=O)C[C@H](c1ccccc1)c1oc(CN2CCOCC2)cc(=O)c1O ZINC000217911615 523339803 /nfs/dbraw/zinc/33/98/03/523339803.db2.gz NHLLDMJQIDXKTI-MRXNPFEDSA-N 0 0 373.405 1.873 50 70 FDIARN CN(Cc1nc(-c2ccccn2)no1)C(=O)CSc1nnc(N)s1 ZINC000216969936 523545838 /nfs/dbraw/zinc/54/58/38/523545838.db2.gz KMNRDCOIBPDABR-UHFFFAOYSA-N 0 0 363.428 1.316 50 70 FDIARN CN(Cc1nc2cc(F)ccc2[nH]1)C(=O)c1cc(-n2cnnn2)ccc1O ZINC000217366863 523559742 /nfs/dbraw/zinc/55/97/42/523559742.db2.gz YNALARFMPNVYPT-UHFFFAOYSA-N 0 0 367.344 1.656 50 70 FDIARN C[C@]1(c2ccccc2)CC(=O)N(CCC(=O)NCCc2ccccn2)C1=O ZINC000218292842 525321506 /nfs/dbraw/zinc/32/15/06/525321506.db2.gz JIFHZUKMMMRTPQ-OAQYLSRUSA-N 0 0 365.433 1.847 50 70 FDIARN CSCC[C@@H](CO)NC(=O)c1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000218323876 525536860 /nfs/dbraw/zinc/53/68/60/525536860.db2.gz NDPVCBWVCXOXCN-LBPRGKRZSA-N 0 0 363.439 1.692 50 70 FDIARN C[C@H](O)c1cc2n(n1)CCN(C(=O)c1cnc(CN3CCCC3)s1)C2 ZINC000216968790 525851295 /nfs/dbraw/zinc/85/12/95/525851295.db2.gz QYPYIBXAFUPJGB-LBPRGKRZSA-N 0 0 361.471 1.645 50 70 FDIARN C[C@H](O)c1cc2n(n1)CCN(C(=O)CCc1nc3cc(F)ccc3[nH]1)C2 ZINC000218367392 525851765 /nfs/dbraw/zinc/85/17/65/525851765.db2.gz VFULBBMOZYBZDW-NSHDSACASA-N 0 0 357.389 1.927 50 70 FDIARN Cc1nnc([C@H]2CCCN(C(=O)CN3CCOc4ccccc4C3)C2)[nH]1 ZINC000217808443 526535318 /nfs/dbraw/zinc/53/53/18/526535318.db2.gz YYTLPDFJNLGYSW-INIZCTEOSA-N 0 0 355.442 1.714 50 70 FDIARN O=C(C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)NCCc1ccc(O)cc1 ZINC000217819916 527137649 /nfs/dbraw/zinc/13/76/49/527137649.db2.gz PAEGVZHLBGMESG-KRWDZBQOSA-N 0 0 367.405 1.562 50 70 FDIARN Cc1nc2ccccc2n1CCNC(=O)CN1C(=O)CC2(CCCC2)C1=O ZINC000218155837 527170262 /nfs/dbraw/zinc/17/02/62/527170262.db2.gz QRNRXPLZYVKZMH-UHFFFAOYSA-N 0 0 368.437 1.780 50 70 FDIARN OC[C@H](O)c1cc2n(n1)CCN(Cc1nccn1Cc1ccccc1)C2 ZINC000217185322 527612459 /nfs/dbraw/zinc/61/24/59/527612459.db2.gz MDOYRHPDIQBEBM-SFHVURJKSA-N 0 0 353.426 1.169 50 70 FDIARN Cc1ccc2[nH]c([C@H](NC(=O)c3c[nH]c4ncnn4c3=O)C(C)C)nc2c1 ZINC000217104121 537452761 /nfs/dbraw/zinc/45/27/61/537452761.db2.gz VYDIASCSDJGTGC-CQSZACIVSA-N 0 0 365.397 1.729 50 70 FDIARN COC(=O)[C@H](Cc1ccccc1)NC(=O)c1sc2[nH]cnc(=O)c2c1C ZINC000218139637 537458943 /nfs/dbraw/zinc/45/89/43/537458943.db2.gz DPHYYUPRBGIFJQ-LBPRGKRZSA-N 0 0 371.418 1.807 50 70 FDIARN CC1=C(C(=O)NCCn2ncc3ccccc3c2=O)SC2=NCCN12 ZINC000218156873 537461775 /nfs/dbraw/zinc/46/17/75/537461775.db2.gz YRNWHFBOESICDX-UHFFFAOYSA-N 0 0 355.423 1.163 50 70 FDIARN CCOC(=O)Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1c(F)cccc1Cl ZINC000218226282 537461900 /nfs/dbraw/zinc/46/19/00/537461900.db2.gz KWQYFPBULNBWOP-QMMMGPOBSA-N 0 0 369.780 1.608 50 70 FDIARN COCCc1noc([C@@H]2CCCCN2C(=O)c2[nH]nc(N)c2Cl)n1 ZINC000218361938 537462662 /nfs/dbraw/zinc/46/26/62/537462662.db2.gz DWPVZROGICUWCH-QMMMGPOBSA-N 0 0 354.798 1.585 50 70 FDIARN Cc1[nH]c2c3ccccc3nn2c(=O)c1CCC(=O)Nc1cnn(C)c1 ZINC000218479174 537464133 /nfs/dbraw/zinc/46/41/33/537464133.db2.gz QAOQBPVCLGVWMY-UHFFFAOYSA-N 0 0 350.382 1.789 50 70 FDIARN CN1CCN(Cc2oc(CN3CCc4ccccc4C3)cc(=O)c2O)CC1 ZINC000218383120 537464151 /nfs/dbraw/zinc/46/41/51/537464151.db2.gz BTOXYVFRRYNCCC-UHFFFAOYSA-N 0 0 369.465 1.651 50 70 FDIARN O=C(CSC1CCCC1)N1CCN(c2cc(-n3cncn3)ncn2)CC1 ZINC000218629006 537464643 /nfs/dbraw/zinc/46/46/43/537464643.db2.gz UGSZTDSYKBJBQE-UHFFFAOYSA-N 0 0 373.486 1.382 50 70 FDIARN CC(=O)c1c(C)nn(CC(=O)N2CCC(Cc3noc(C)n3)CC2)c1C ZINC000218762749 537467080 /nfs/dbraw/zinc/46/70/80/537467080.db2.gz XHYQCMQBKDXSFD-UHFFFAOYSA-N 0 0 359.430 1.875 50 70 FDIARN Cc1cc(C)n([C@@H]2CCN(C(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)C2)n1 ZINC000218745287 568249522 /nfs/dbraw/zinc/24/95/22/568249522.db2.gz BBPPTYVBSORXJN-CYBMUJFWSA-N 0 0 353.382 1.117 50 70 FDIARN CC(C)C[C@H](NC(=O)CN1C(=O)NC(C)(C)C1=O)c1nnc2ccccn21 ZINC000218241963 519384276 /nfs/dbraw/zinc/38/42/76/519384276.db2.gz UMZHNRKVNWMOGD-LBPRGKRZSA-N 0 0 372.429 1.263 50 70 FDIARN COCCn1nnc2ccc(NC(=O)Cc3ccccc3OC)cc2c1=O ZINC000218425849 522154819 /nfs/dbraw/zinc/15/48/19/522154819.db2.gz LIQZJKFCJFTUMF-UHFFFAOYSA-N 0 0 368.393 1.628 50 70 FDIARN Cc1cccc(=O)n1CCC(=O)N1CCn2nc([C@H](O)C3CC3)cc2C1 ZINC000218078392 524155223 /nfs/dbraw/zinc/15/52/23/524155223.db2.gz NTFITCARSZIUIB-LJQANCHMSA-N 0 0 356.426 1.229 50 70 FDIARN Cc1cc(C)n(C[C@@H]2CCCO2)c(=O)c1C(=O)NCCNc1ncccn1 ZINC000218482775 524531286 /nfs/dbraw/zinc/53/12/86/524531286.db2.gz DXVBWOAWKKBCLW-HNNXBMFYSA-N 0 0 371.441 1.276 50 70 FDIARN COc1ccc(OC)c(S(=O)(=O)NCC[C@@H](O)C2CCOCC2)c1 ZINC000217925357 524876238 /nfs/dbraw/zinc/87/62/38/524876238.db2.gz DTYUOIXKJQLIAR-CQSZACIVSA-N 0 0 359.444 1.160 50 70 FDIARN COc1cn(CC(=O)Nc2nnc(CCc3ccccc3)[nH]2)c(C)cc1=O ZINC000218336816 524888307 /nfs/dbraw/zinc/88/83/07/524888307.db2.gz VYHKWTGBVUNWAK-UHFFFAOYSA-N 0 0 367.409 1.707 50 70 FDIARN C[C@H](NC(=O)CCCNC(=O)c1cnccn1)c1nc2ccccc2n1C ZINC000218536772 524930437 /nfs/dbraw/zinc/93/04/37/524930437.db2.gz NVFOUHUPCXVQKE-ZDUSSCGKSA-N 0 0 366.425 1.751 50 70 FDIARN CS(=O)(=O)Nc1cccc2c1ccn2CC(=O)NCc1ccccn1 ZINC000218385788 525225679 /nfs/dbraw/zinc/22/56/79/525225679.db2.gz PDHFEFVXKMLIDU-UHFFFAOYSA-N 0 0 358.423 1.724 50 70 FDIARN O=C(CN1CCOc2ccccc2C1)N[C@@H]1CCCN(c2cnccn2)C1 ZINC000217690932 526797125 /nfs/dbraw/zinc/79/71/25/526797125.db2.gz JMPDNYJIQCAVOB-QGZVFWFLSA-N 0 0 367.453 1.456 50 70 FDIARN Cn1cccc1-c1cc(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccccn2)[nH]n1 ZINC000217993662 527382654 /nfs/dbraw/zinc/38/26/54/527382654.db2.gz ZUJXZJIEXKYKEC-CXAGYDPISA-N 0 0 367.409 1.777 50 70 FDIARN Cc1cc(C)n2nc(CC(=O)N[C@H]3CC(=O)Nc4ccccc43)nc2n1 ZINC000217347466 537454334 /nfs/dbraw/zinc/45/43/34/537454334.db2.gz BDGOWLMBPMUTJU-AWEZNQCLSA-N 0 0 350.382 1.483 50 70 FDIARN Cc1cc(OC2CCN(C(=O)c3cccn(C)c3=O)CC2)cc(=O)n1C ZINC000217776354 537456921 /nfs/dbraw/zinc/45/69/21/537456921.db2.gz HINUEQPTEIRXFT-UHFFFAOYSA-N 0 0 357.410 1.076 50 70 FDIARN COc1ccccc1-c1nc(NC(=O)Cn2cc(OC)c(=O)cc2C)n[nH]1 ZINC000218279087 537461060 /nfs/dbraw/zinc/46/10/60/537461060.db2.gz RJDAIUOUEKXIPT-UHFFFAOYSA-N 0 0 369.381 1.598 50 70 FDIARN O=C(N[C@@H]1COCC[C@H]1Oc1ccccn1)c1ccc2c(c1)OCCO2 ZINC000218447542 537462676 /nfs/dbraw/zinc/46/26/76/537462676.db2.gz PEMLLGLMWXKZGZ-HUUCEWRRSA-N 0 0 356.378 1.819 50 70 FDIARN COCc1c(C)onc1C(=O)N[C@H](c1cncc(OC)c1)[C@H]1C[C@H](O)C1 ZINC000218782209 537466507 /nfs/dbraw/zinc/46/65/07/537466507.db2.gz RCYIPEQQWUALCI-GHJWDPDVSA-N 0 0 361.398 1.775 50 70 FDIARN O=C(CCc1nc2cc(F)ccc2[nH]1)N1CCCn2nc(CO)cc2C1 ZINC000217433358 568183596 /nfs/dbraw/zinc/18/35/96/568183596.db2.gz BTVHUZXXJAUOLY-UHFFFAOYSA-N 0 0 357.389 1.756 50 70 FDIARN COc1ccccc1[C@H]1CCCN1C(=O)COc1ccc2nncn2n1 ZINC000217202316 222670429 /nfs/dbraw/zinc/67/04/29/222670429.db2.gz DTIVGSZCVXSECT-CQSZACIVSA-N 0 0 353.382 1.875 50 70 FDIARN COC(=O)C[C@@H](c1ccccc1)c1oc(CN2CCOCC2)cc(=O)c1O ZINC000217911736 523280157 /nfs/dbraw/zinc/28/01/57/523280157.db2.gz NHLLDMJQIDXKTI-INIZCTEOSA-N 0 0 373.405 1.873 50 70 FDIARN CCc1ccc(S(=O)(=O)N[C@H](c2cnn(C)c2)C2CC(O)C2)s1 ZINC000218551141 524015466 /nfs/dbraw/zinc/01/54/66/524015466.db2.gz JMCCPZMVEXBJLV-QHAMSDLMSA-N 0 0 355.485 1.835 50 70 FDIARN Cc1cc(C)n(CCNC(=O)c2c(C)cc(C)n(C[C@@H]3CCCO3)c2=O)n1 ZINC000218534786 524528728 /nfs/dbraw/zinc/52/87/28/524528728.db2.gz SSXRSZPVQCXOFZ-KRWDZBQOSA-N 0 0 372.469 1.887 50 70 FDIARN Cc1ccc2c(c1)c(CNC(=O)[C@@H](c1ccccc1)n1cnnn1)nn2C ZINC000218021830 526216632 /nfs/dbraw/zinc/21/66/32/526216632.db2.gz VWRSQUBCYKYJBI-GOSISDBHSA-N 0 0 361.409 1.774 50 70 FDIARN O=C(c1cnc(Nc2ccccc2)nc1)N1CCn2nc(CO)cc2C1 ZINC000217917503 526874429 /nfs/dbraw/zinc/87/44/29/526874429.db2.gz SMMAQENZZYXKCS-UHFFFAOYSA-N 0 0 350.382 1.565 50 70 FDIARN O=C(N[C@@H]1CCOC[C@H]1OCC1CCC1)c1ccc2[nH]c(CO)nc2c1 ZINC000217993358 526935198 /nfs/dbraw/zinc/93/51/98/526935198.db2.gz FNYVYQDBMWVUIM-NVXWUHKLSA-N 0 0 359.426 1.759 50 70 FDIARN O=C(COc1ccc(C(=O)N[C@H]2C[C@@H]3OCC[C@H]23)cc1)N1CCCCC1 ZINC000218184451 526948619 /nfs/dbraw/zinc/94/86/19/526948619.db2.gz IQWNCHQUCSBKHI-SQNIBIBYSA-N 0 0 358.438 1.985 50 70 FDIARN O=C(Cn1nc2ccccc2n1)N[C@@H]1COCC[C@H]1Oc1ccccn1 ZINC000218309772 527419887 /nfs/dbraw/zinc/41/98/87/527419887.db2.gz HTRZIDCPIBKTTA-HZPDHXFCSA-N 0 0 353.382 1.179 50 70 FDIARN O=C(NC1CCN(C(=O)N2CCOCC2)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000217858734 527521287 /nfs/dbraw/zinc/52/12/87/527521287.db2.gz MSFITHGDBAAQMU-ZWKOTPCHSA-N 0 0 357.454 1.823 50 70 FDIARN CC[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1csc(CN(C)C)n1)C2 ZINC000217073377 537451458 /nfs/dbraw/zinc/45/14/58/537451458.db2.gz KOZBDSNXHZWKQN-OAHLLOKOSA-N 0 0 363.487 1.891 50 70 FDIARN COc1ccc(C2(C(=O)N3CCN(Cc4nccn4C)CC3)CC2)cc1 ZINC000217122155 537452956 /nfs/dbraw/zinc/45/29/56/537452956.db2.gz XLRHULBMMHHYFU-UHFFFAOYSA-N 0 0 354.454 1.805 50 70 FDIARN CN1C(=O)N(C)C2(CCN(C(=O)c3ccccc3N3CCCC3)CC2)C1=O ZINC000217190574 537454104 /nfs/dbraw/zinc/45/41/04/537454104.db2.gz VHZQXSHGTBOFPX-UHFFFAOYSA-N 0 0 370.453 1.785 50 70 FDIARN Cn1nnc2ccc(NC(=O)CCN3Cc4ccccc4C3=O)cc2c1=O ZINC000218264938 537460652 /nfs/dbraw/zinc/46/06/52/537460652.db2.gz BWKPVHKVESHMOZ-UHFFFAOYSA-N 0 0 363.377 1.313 50 70 FDIARN O=S(=O)(N[C@@H]1COCC[C@H]1Oc1ccccn1)c1ccc(F)c(F)c1 ZINC000218320751 537462895 /nfs/dbraw/zinc/46/28/95/537462895.db2.gz JONMEXOKSRRXMY-HUUCEWRRSA-N 0 0 370.377 1.875 50 70 FDIARN CCOC(=O)N1CCN(C(=O)c2c(C)cc(C)n(CCOC)c2=O)CC1 ZINC000218488797 537463743 /nfs/dbraw/zinc/46/37/43/537463743.db2.gz KONRMNXXKKVBFX-UHFFFAOYSA-N 0 0 365.430 1.026 50 70 FDIARN O=C(c1cc(F)c(F)cc1Cl)N1CCn2nc([C@H](O)CO)cc2C1 ZINC000217452459 568184695 /nfs/dbraw/zinc/18/46/95/568184695.db2.gz ISOOKXYPJVHLEE-CQSZACIVSA-N 0 0 357.744 1.496 50 70 FDIARN CSc1ncccc1C(=O)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 ZINC000217722093 222673728 /nfs/dbraw/zinc/67/37/28/222673728.db2.gz QXRBJXKWWOVPOG-STQMWFEESA-N 0 0 357.435 1.579 50 70 FDIARN O=C(Cn1nnc2ccccc21)N1CCC(N2C(=O)CSC2=O)CC1 ZINC000217791387 222674213 /nfs/dbraw/zinc/67/42/13/222674213.db2.gz CETJSNOYHWYCRF-UHFFFAOYSA-N 0 0 359.411 1.118 50 70 FDIARN O=C(NCCc1nc2ccccc2o1)[C@H]1Cc2ccccc2S(=O)(=O)N1 ZINC000218038649 222676101 /nfs/dbraw/zinc/67/61/01/222676101.db2.gz WUKCRFVYSJBHDA-CQSZACIVSA-N 0 0 371.418 1.390 50 70 FDIARN COc1ccc([C@H](NC(=O)c2c(C)cc(C)n(C)c2=O)C2CC(O)C2)cn1 ZINC000218696707 222686442 /nfs/dbraw/zinc/68/64/42/222686442.db2.gz SAOUUTVRGHSDJZ-JMLCCBQJSA-N 0 0 371.437 1.648 50 70 FDIARN CCc1nccn1CCCNC(=O)C1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000218440415 522583671 /nfs/dbraw/zinc/58/36/71/522583671.db2.gz IXNTXRYONPDBPB-MRXNPFEDSA-N 0 0 362.474 1.369 50 70 FDIARN COC(=O)C[C@@H](c1ccco1)c1oc(CN2CCOCC2)cc(=O)c1O ZINC000218284695 523279963 /nfs/dbraw/zinc/27/99/63/523279963.db2.gz FOZDCHWFOKDRMT-ZDUSSCGKSA-N 0 0 363.366 1.466 50 70 FDIARN COc1ccc(C(=O)CNC(=O)C[C@@H]2Oc3ccccc3NC2=O)cc1 ZINC000218286066 523586988 /nfs/dbraw/zinc/58/69/88/523586988.db2.gz JBCQMNKIQNBWKP-KRWDZBQOSA-N 0 0 354.362 1.784 50 70 FDIARN COc1ccc(S(=O)(=O)NCC[C@@H](O)C2CCOCC2)cc1Cl ZINC000217925536 525060109 /nfs/dbraw/zinc/06/01/09/525060109.db2.gz NXZCXRQUMQDTKV-CQSZACIVSA-N 0 0 363.863 1.805 50 70 FDIARN Cc1cc(S(=O)(=O)NCC(=O)NCC[C@@H]2CCCCO2)ccc1F ZINC000217003352 525407436 /nfs/dbraw/zinc/40/74/36/525407436.db2.gz YVNNUNVQHXFVKM-ZDUSSCGKSA-N 0 0 358.435 1.488 50 70 FDIARN C[C@@H](O)CNc1c(=O)c(=O)c1N1CCN(Cc2ccccc2Cl)CC1 ZINC000218366449 525807336 /nfs/dbraw/zinc/80/73/36/525807336.db2.gz KBICJRZONDWHPK-GFCCVEGCSA-N 0 0 363.845 1.051 50 70 FDIARN Cn1ccnc1[C@@H](O)c1cc2n(n1)CCN(C(=O)Cc1ccc(F)cc1)C2 ZINC000218455283 527457278 /nfs/dbraw/zinc/45/72/78/527457278.db2.gz ZIUPJTDGVKGCIO-SFHVURJKSA-N 0 0 369.400 1.422 50 70 FDIARN OC1CCN(c2ccnc(N[C@H](c3ccccn3)[C@H]3C[C@H](O)C3)n2)CC1 ZINC000218046806 527516649 /nfs/dbraw/zinc/51/66/49/527516649.db2.gz JQOSBLDEFITSAB-JOQOYGCGSA-N 0 0 355.442 1.757 50 70 FDIARN Cc1nc(=O)[nH]c(C)c1CCC(=O)N[C@H](c1cnn(C)c1)[C@H]1C[C@@H](O)C1 ZINC000218121130 537459544 /nfs/dbraw/zinc/45/95/44/537459544.db2.gz KQNHIWBTKYFDMK-JDFRZJQESA-N 0 0 359.430 1.094 50 70 FDIARN O=C(N[C@@H]1COCC[C@H]1OCc1ccccn1)c1ccc2n[nH]nc2c1 ZINC000218277753 537461226 /nfs/dbraw/zinc/46/12/26/537461226.db2.gz HQUQHZYUVMCDNT-IAGOWNOFSA-N 0 0 353.382 1.457 50 70 FDIARN CCN1CCN(C(=O)C2(c3ccc(S(C)(=O)=O)cc3)CCC2)CC1=O ZINC000218322919 537462859 /nfs/dbraw/zinc/46/28/59/537462859.db2.gz LRNPWOIPPNVDNG-UHFFFAOYSA-N 0 0 364.467 1.203 50 70 FDIARN CN(C)Cc1nnc([C@H]2C[C@H](NC(=O)c3n[nH]c4c3CCCC4)C2)n1C ZINC000218455551 537464228 /nfs/dbraw/zinc/46/42/28/537464228.db2.gz JDSKSMPVZVJMGU-TXEJJXNPSA-N 0 0 357.462 1.155 50 70 FDIARN Cc1cc(C(=O)N2CCCn3nc([C@H](O)c4ccnn4C)cc3C2)c(C)o1 ZINC000218632713 537464655 /nfs/dbraw/zinc/46/46/55/537464655.db2.gz FAASMXDXLSNIKN-SFHVURJKSA-N 0 0 369.425 1.954 50 70 FDIARN O=C(Cn1c(=O)oc2ccccc21)NCc1nnc(-c2ccncc2)[nH]1 ZINC000218670668 537465778 /nfs/dbraw/zinc/46/57/78/537465778.db2.gz ZCHYYGJNONILLT-UHFFFAOYSA-N 0 0 350.338 1.091 50 70 FDIARN CCOc1ncccc1C(=O)N[C@@H]1CCOC[C@H]1OCc1ccccn1 ZINC000218728117 568248381 /nfs/dbraw/zinc/24/83/81/568248381.db2.gz MHLSWSNZFCNGMW-IAGOWNOFSA-N 0 0 357.410 1.979 50 70 FDIARN C[C@H](O)c1cc2n(n1)CCCN(C(=O)c1cc(=O)nc3sccn31)C2 ZINC000217633362 222671892 /nfs/dbraw/zinc/67/18/92/222671892.db2.gz ASMFEEKVVLJTOS-JTQLQIEISA-N 0 0 359.411 1.052 50 70 FDIARN CC(=O)c1c(C)nn([C@@H](C)CC(=O)N2Cc3nc(C)n(C)c(=O)c3C2)c1C ZINC000218709590 222686705 /nfs/dbraw/zinc/68/67/05/222686705.db2.gz AWLWFMPTKNTSMF-JTQLQIEISA-N 0 0 371.441 1.598 50 70 FDIARN Cc1nc2ccccn2c1C(=O)N1Cc2cnc(N3CCOCC3)nc2C1 ZINC000217608296 132272437 /nfs/dbraw/zinc/27/24/37/132272437.db2.gz WRAOHDYIESBAHT-UHFFFAOYSA-N 0 0 364.409 1.425 50 70 FDIARN CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)Cc1c(F)cccc1Cl ZINC000160313834 173706862 /nfs/dbraw/zinc/70/68/62/173706862.db2.gz PRMRCDRCOLJBSA-QMTHXVAHSA-N 0 0 362.854 1.856 50 70 FDIARN CCCN1C(=O)N[C@@H](CC(=O)N(C)Cc2nc3cc(F)ccc3[nH]2)C1=O ZINC000217603807 521700451 /nfs/dbraw/zinc/70/04/51/521700451.db2.gz LAITZNDKCYWUJD-ZDUSSCGKSA-N 0 0 361.377 1.381 50 70 FDIARN CCc1nc(C)ccc1OCC(=O)N1CCC[C@H](c2nnc(CO)n2C)C1 ZINC000217908667 522241810 /nfs/dbraw/zinc/24/18/10/522241810.db2.gz VQXYBVGTECLADH-AWEZNQCLSA-N 0 0 373.457 1.358 50 70 FDIARN CN1CCN(C(=O)C[C@@H]2NC(=O)N(c3cccc4ccccc43)C2=O)CC1 ZINC000218480470 523876195 /nfs/dbraw/zinc/87/61/95/523876195.db2.gz HBUMPUXZPCACGI-INIZCTEOSA-N 0 0 366.421 1.429 50 70 FDIARN O=C(CCCn1nnc(-c2ccc(F)cc2)n1)N1CCc2n[nH]cc2C1 ZINC000216956120 526472674 /nfs/dbraw/zinc/47/26/74/526472674.db2.gz UGSHOTQWZHOOII-UHFFFAOYSA-N 0 0 355.377 1.567 50 70 FDIARN O=C(Cc1cccs1)N[C@H]1C[C@@H](c2cc(N3CC[C@@H](O)C3)ncn2)C1 ZINC000218113759 527302610 /nfs/dbraw/zinc/30/26/10/527302610.db2.gz BEHSRTDTZOQVQN-MGPQQGTHSA-N 0 0 358.467 1.714 50 70 FDIARN Cn1cc([C@H](Nc2cncc(C(=O)N3CCCC3)n2)[C@H]2C[C@@H](O)C2)cn1 ZINC000218034572 527315353 /nfs/dbraw/zinc/31/53/53/527315353.db2.gz ZHQMTELCGNWWSZ-SUYBPPKGSA-N 0 0 356.430 1.370 50 70 FDIARN Cn1cccc1[C@@H](O)CCNS(=O)(=O)c1cccc2nsnc21 ZINC000217945070 527401745 /nfs/dbraw/zinc/40/17/45/527401745.db2.gz BHXOUUZDRJOEMA-LBPRGKRZSA-N 0 0 352.441 1.432 50 70 FDIARN Cn1cc(C(=O)N2CCCO[C@@H](CN3CCOCC3)C2)c2ccccc21 ZINC000216976919 537451407 /nfs/dbraw/zinc/45/14/07/537451407.db2.gz YNSPQPVIGLEEFV-INIZCTEOSA-N 0 0 357.454 1.742 50 70 FDIARN Cc1ncsc1CCNC(=O)CN(c1cccc(C)c1)S(C)(=O)=O ZINC000216932267 537451758 /nfs/dbraw/zinc/45/17/58/537451758.db2.gz BIJSPRDEUNRLQH-UHFFFAOYSA-N 0 0 367.496 1.885 50 70 FDIARN Cc1nc2cccc(C(=O)N3CCCn4nc([C@@H](O)CO)cc4C3)c2[nH]1 ZINC000217559967 537455311 /nfs/dbraw/zinc/45/53/11/537455311.db2.gz SEOQPUAEXNWCHK-INIZCTEOSA-N 0 0 355.398 1.140 50 70 FDIARN CC(C)c1cc(C(=O)N2CCN(Cc3ccc(F)cc3)C(=O)C2)nc(N)n1 ZINC000217557688 537455460 /nfs/dbraw/zinc/45/54/60/537455460.db2.gz USIWNXYNNNUMAH-UHFFFAOYSA-N 0 0 371.416 1.806 50 70 FDIARN COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCC[C@@H]1c1ccccn1 ZINC000217623303 537456113 /nfs/dbraw/zinc/45/61/13/537456113.db2.gz CNMAKNBDSBBADA-OAHLLOKOSA-N 0 0 361.423 1.715 50 70 FDIARN O=C(CCn1ccc(=O)[nH]c1=O)N1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000217549382 537456142 /nfs/dbraw/zinc/45/61/42/537456142.db2.gz JYTRBQWVRDMZHN-HNNXBMFYSA-N 0 0 367.409 1.557 50 70 FDIARN O=C1CSC(=O)N1C1CCN(S(=O)(=O)CCc2ccccc2)CC1 ZINC000217791597 537457728 /nfs/dbraw/zinc/45/77/28/537457728.db2.gz GUHBSQIRVQHSSE-UHFFFAOYSA-N 0 0 368.480 1.719 50 70 FDIARN CSCC[C@H](NC(C)=O)C(=O)Nc1cnn(CC2CCOCC2)c1 ZINC000218227602 537460526 /nfs/dbraw/zinc/46/05/26/537460526.db2.gz JHGOIPGHSCYPSI-HNNXBMFYSA-N 0 0 354.476 1.506 50 70 FDIARN O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)Nc1nc[nH]n1 ZINC000218211457 537462081 /nfs/dbraw/zinc/46/20/81/537462081.db2.gz ATNLOYYEPKKMCH-INIZCTEOSA-N 0 0 374.360 1.558 50 70 FDIARN CNc1ncc(C(=O)N[C@@H]2COCC[C@@H]2OCc2c(C)noc2C)cn1 ZINC000218188967 222678217 /nfs/dbraw/zinc/67/82/17/222678217.db2.gz VQIKRQGFTKNXCV-CABCVRRESA-N 0 0 361.402 1.227 50 70 FDIARN O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)Nc1nc[nH]n1 ZINC000218285864 222679671 /nfs/dbraw/zinc/67/96/71/222679671.db2.gz GVCPDGPTVNVSOH-UHFFFAOYSA-N 0 0 352.379 1.882 50 70 FDIARN Nc1nc2c(c(C(=O)N[C@H](c3ccccn3)[C@H]3C[C@@H](O)C3)n1)CCCC2 ZINC000218526146 222682793 /nfs/dbraw/zinc/68/27/93/222682793.db2.gz CZRMEQBNTQFRHN-MKBNYLNASA-N 0 0 353.426 1.575 50 70 FDIARN COc1ccc(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(C(N)=O)cc2)o1 ZINC000218630279 222685354 /nfs/dbraw/zinc/68/53/54/222685354.db2.gz HMAJRVGUNZOPPK-UKRRQHHQSA-N 0 0 360.366 1.353 50 70 FDIARN Cc1nc(=O)[nH]c(C)c1CCC(=O)NC[C@@H]1CC(=O)N(C)c2ccccc21 ZINC000217914475 132272822 /nfs/dbraw/zinc/27/28/22/132272822.db2.gz NDRCYCQFIMNPGH-AWEZNQCLSA-N 0 0 368.437 1.998 50 70 FDIARN CN(CC(=O)N1CCCC[C@@H]1CN1CCOCC1)Cc1ccccc1F ZINC000218181399 522432323 /nfs/dbraw/zinc/43/23/23/522432323.db2.gz FAHPNCXSVLQZBE-GOSISDBHSA-N 0 0 363.477 1.971 50 70 FDIARN COCCCn1c(C)cc(C)c(C(=O)NCc2nnc3ccccn32)c1=O ZINC000218395007 523498734 /nfs/dbraw/zinc/49/87/34/523498734.db2.gz XYGPJKJOJPKCLU-UHFFFAOYSA-N 0 0 369.425 1.474 50 70 FDIARN CCc1c(C(=O)N(CC(F)F)C(C)C)cnc2c1c(=O)n(C)c(=O)n2C ZINC000160512162 524906957 /nfs/dbraw/zinc/90/69/57/524906957.db2.gz WILHWBLLPNDIDZ-UHFFFAOYSA-N 0 0 368.384 1.310 50 70 FDIARN C[C@H](NC(=O)CCCNC(=O)c1cnccn1)c1nc2ccccc2[nH]1 ZINC000218549022 524930311 /nfs/dbraw/zinc/93/03/11/524930311.db2.gz SGFPPVYDGMAWGV-LBPRGKRZSA-N 0 0 352.398 1.740 50 70 FDIARN Cc1cc(OC2CN(S(=O)(=O)Cc3ccccc3F)C2)cc(=O)o1 ZINC000217754121 525356109 /nfs/dbraw/zinc/35/61/09/525356109.db2.gz DHDLWTUNXADMIP-UHFFFAOYSA-N 0 0 353.371 1.680 50 70 FDIARN O=C(CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O)N[C@H](CO)c1ccccc1 ZINC000217920667 526562183 /nfs/dbraw/zinc/56/21/83/526562183.db2.gz PECFTEHZNOZNMR-JKSUJKDBSA-N 0 0 371.393 1.330 50 70 FDIARN O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1nnc(C2CCC2)[nH]1 ZINC000217892997 526562963 /nfs/dbraw/zinc/56/29/63/526562963.db2.gz CCNSMKKNEUKLJX-ZDUSSCGKSA-N 0 0 368.397 1.542 50 70 FDIARN O=C(CCc1ccc(-n2cnnc2)cc1)N[C@H](CO)Cc1ccccc1 ZINC000218267226 526583421 /nfs/dbraw/zinc/58/34/21/526583421.db2.gz TUPQGXDXDKIOQA-SFHVURJKSA-N 0 0 350.422 1.920 50 70 FDIARN Cc1nc(C)c(CC(=O)NCc2csc(-c3cnccn3)n2)c(=O)[nH]1 ZINC000218111271 526708367 /nfs/dbraw/zinc/70/83/67/526708367.db2.gz WFRNVKSYJVCZGG-UHFFFAOYSA-N 0 0 356.411 1.159 50 70 FDIARN Cn1c(CO)nnc1C1CCN(C(=O)CCc2nc3ccccc3[nH]2)CC1 ZINC000217620560 527063231 /nfs/dbraw/zinc/06/32/31/527063231.db2.gz YCZISRNXCDRFOE-UHFFFAOYSA-N 0 0 368.441 1.523 50 70 FDIARN Cn1cc(S(=O)(=O)NC[C@@](C)(O)c2cc3ccccc3s2)cn1 ZINC000217515486 527288327 /nfs/dbraw/zinc/28/83/27/527288327.db2.gz FAPFKULYVQMYKH-OAHLLOKOSA-N 0 0 351.453 1.821 50 70 FDIARN Cn1ccc(NC(=O)CC[C@@H]2NC(=O)N(CCc3ccccc3)C2=O)n1 ZINC000218423815 527368337 /nfs/dbraw/zinc/36/83/37/527368337.db2.gz SRAZLYXOTZKYTN-AWEZNQCLSA-N 0 0 355.398 1.302 50 70 FDIARN O=C(Cn1cnc2ccccc2c1=O)NCCc1noc(C2CCCC2)n1 ZINC000217562862 527404347 /nfs/dbraw/zinc/40/43/47/527404347.db2.gz VSUIIHKWMUOPRM-UHFFFAOYSA-N 0 0 367.409 1.796 50 70 FDIARN CC(=O)OC(C)(C)C(=O)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1 ZINC000217847279 537457321 /nfs/dbraw/zinc/45/73/21/537457321.db2.gz JJRWXNHPACBKLM-CYBMUJFWSA-N 0 0 373.413 1.649 50 70 FDIARN CNc1cc(C(=O)N[C@@H]2COCC[C@@H]2OCc2c(C)noc2C)ccn1 ZINC000218557147 537462731 /nfs/dbraw/zinc/46/27/31/537462731.db2.gz DDMQJXOZQFLJDL-CVEARBPZSA-N 0 0 360.414 1.832 50 70 FDIARN Cc1ncc(C(=O)N2CCC[C@@H](c3nc(-c4cccnc4)no3)C2)c(=O)[nH]1 ZINC000218678540 537465227 /nfs/dbraw/zinc/46/52/27/537465227.db2.gz NKMJMKQJTPLIFX-CYBMUJFWSA-N 0 0 366.381 1.543 50 70 FDIARN CN(C)Cc1nnc([C@H]2C[C@@H](NC(=O)c3cccnc3N(C)C)C2)n1C ZINC000218638595 222685280 /nfs/dbraw/zinc/68/52/80/222685280.db2.gz ONOVOKBFZQLHFL-JOCQHMNTSA-N 0 0 357.462 1.014 50 70 FDIARN C[C@@H](O)c1cc2n(n1)CCCN(CC(=O)N1CCOc3ccccc31)C2 ZINC000217922965 132272646 /nfs/dbraw/zinc/27/26/46/132272646.db2.gz HVSKXBKDMUSDND-CQSZACIVSA-N 0 0 356.426 1.568 50 70 FDIARN CNC(=O)[C@H]1CC[C@@](C)(C(=O)NCCSc2nncn2C)C1(C)C ZINC000217022026 521759631 /nfs/dbraw/zinc/75/96/31/521759631.db2.gz UKMKILOYJXAGAX-BZNIZROVSA-N 0 0 353.492 1.212 50 70 FDIARN CC[C@H](O)c1cc2n(n1)CCN(C(=O)CCc1cn3ccccc3n1)C2 ZINC000217567219 522825915 /nfs/dbraw/zinc/82/59/15/522825915.db2.gz DIVBQHRWCUESPU-KRWDZBQOSA-N 0 0 353.426 1.949 50 70 FDIARN CCn1nc(C)c(-c2cc(C(=O)N[C@H](CO)CCSC)[nH]n2)c1C ZINC000218308118 523621436 /nfs/dbraw/zinc/62/14/36/523621436.db2.gz RBPIPPZSIHIICN-LBPRGKRZSA-N 0 0 351.476 1.754 50 70 FDIARN COc1ccc(N2C(=O)N[C@@H](CCC(=O)NCc3ccccn3)C2=O)cc1 ZINC000218525700 524394152 /nfs/dbraw/zinc/39/41/52/524394152.db2.gz LQBBFYQKVIXZRO-INIZCTEOSA-N 0 0 368.393 1.612 50 70 FDIARN O=C(NCCc1noc([C@@H]2CCCO2)n1)c1scc2c1OCCO2 ZINC000217756631 526466780 /nfs/dbraw/zinc/46/67/80/526466780.db2.gz OXNWRORIAGHAIL-VIFPVBQESA-N 0 0 351.384 1.726 50 70 FDIARN Cn1cc([C@@H](NC(=O)CCc2nc3ccccc3[nH]2)C2CC(O)C2)cn1 ZINC000218148710 527294701 /nfs/dbraw/zinc/29/47/01/527294701.db2.gz JRZYFCALFGGRIA-JSORRYRYSA-N 0 0 353.426 1.857 50 70 FDIARN C[C@H](O)c1cc2n(n1)CCCN(C(=O)c1ccc3oc(=O)n(C)c3c1)C2 ZINC000217102749 537452950 /nfs/dbraw/zinc/45/29/50/537452950.db2.gz YCYVELMUIOXOPC-NSHDSACASA-N 0 0 356.382 1.427 50 70 FDIARN CN1CCC(C(=O)N[C@]2(C)CCS(=O)(=O)C2)(c2ccccc2)CC1 ZINC000217168755 537453713 /nfs/dbraw/zinc/45/37/13/537453713.db2.gz UYXUAMKGHZZHHZ-QGZVFWFLSA-N 0 0 350.484 1.343 50 70 FDIARN Cc1scc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)c1-c1ccccc1 ZINC000217365887 537454486 /nfs/dbraw/zinc/45/44/86/537454486.db2.gz VXZCXAWHZBQMIQ-ZIAGYGMSSA-N 0 0 351.449 1.611 50 70 FDIARN O=C(Nc1cnn(CC2CCOCC2)c1)c1cccc(-n2cnnn2)c1 ZINC000218196291 537460640 /nfs/dbraw/zinc/46/06/40/537460640.db2.gz JFORSNHHRSHMLJ-UHFFFAOYSA-N 0 0 353.386 1.538 50 70 FDIARN CSCC[C@@H](CO)NC(=O)c1cn(C)c2c(F)cc(F)cc2c1=O ZINC000218218760 537461586 /nfs/dbraw/zinc/46/15/86/537461586.db2.gz FPYPPVSRFXSHEE-JTQLQIEISA-N 0 0 356.394 1.661 50 70 FDIARN O=C(NC1CCN(C(=O)N2CCOCC2)CC1)c1cnc2ccccc2c1 ZINC000217024440 222670053 /nfs/dbraw/zinc/67/00/53/222670053.db2.gz VNHVJBCVVASABR-UHFFFAOYSA-N 0 0 368.437 1.881 50 70 FDIARN CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)c1c[nH]c2cc(C)nn2c1=O ZINC000218355319 222679980 /nfs/dbraw/zinc/67/99/80/222679980.db2.gz KCVYVSWWISMVIZ-CABCVRRESA-N 0 0 360.414 1.201 50 70 FDIARN Cn1nnc2ccc(NC(=O)CCc3ccc4c(c3)CCO4)cc2c1=O ZINC000218247011 222680070 /nfs/dbraw/zinc/68/00/70/222680070.db2.gz YELYZTWEHWJHJS-UHFFFAOYSA-N 0 0 350.378 1.835 50 70 FDIARN Cc1cn2nc(C(=O)NCCN3CCCc4ccccc43)cc2c(=O)[nH]1 ZINC000217474308 132271945 /nfs/dbraw/zinc/27/19/45/132271945.db2.gz ZVXSONOTHOXOTI-UHFFFAOYSA-N 0 0 351.410 1.514 50 70 FDIARN COCCCn1cnnc1CNC(=O)c1cc(=O)[nH]c2ccc(F)cc21 ZINC000218050492 523507571 /nfs/dbraw/zinc/50/75/71/523507571.db2.gz WLHOFBDPTYDAPU-UHFFFAOYSA-N 0 0 359.361 1.225 50 70 FDIARN COc1cccc(N2C[C@@H](C(=O)N[C@H](CO)CCSC)CC2=O)c1 ZINC000218214759 526161421 /nfs/dbraw/zinc/16/14/21/526161421.db2.gz XELSIPVNZSBHCM-STQMWFEESA-N 0 0 352.456 1.278 50 70 FDIARN O=C(CCS(=O)(=O)c1ccccc1)NCC[C@@H](O)C1CCOCC1 ZINC000217920279 526539249 /nfs/dbraw/zinc/53/92/49/526539249.db2.gz BHERXNYWNUNMMW-MRXNPFEDSA-N 0 0 355.456 1.144 50 70 FDIARN O=C(COc1ccc(-n2cnnn2)cc1)NC[C@@H]1OCCc2ccccc21 ZINC000217546318 526946682 /nfs/dbraw/zinc/94/66/82/526946682.db2.gz WIBLHHHUCBMPOY-SFHVURJKSA-N 0 0 365.393 1.471 50 70 FDIARN O=C(COc1ccc(F)cc1)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 ZINC000217722390 526956960 /nfs/dbraw/zinc/95/69/60/526956960.db2.gz MGIBUYODHRLXBR-HOTGVXAUSA-N 0 0 358.369 1.367 50 70 FDIARN O=S(=O)(NCC[C@@H](O)C1CCOCC1)c1cccc2nsnc21 ZINC000217927234 527218768 /nfs/dbraw/zinc/21/87/68/527218768.db2.gz CULWHIRYGKUDDM-GFCCVEGCSA-N 0 0 357.457 1.147 50 70 FDIARN O=C(Cc1ccc(F)cc1Cl)N1CCCn2nc([C@H](O)CO)cc2C1 ZINC000217604312 527233479 /nfs/dbraw/zinc/23/34/79/527233479.db2.gz PZWUMNDHHRIESJ-MRXNPFEDSA-N 0 0 367.808 1.676 50 70 FDIARN Cn1cc(C(=O)NC2CCN(C(=O)N3CCOCC3)CC2)c2ccccc21 ZINC000217033412 537452879 /nfs/dbraw/zinc/45/28/79/537452879.db2.gz LEPZUHQDCCMDNP-UHFFFAOYSA-N 0 0 370.453 1.825 50 70 FDIARN COc1ccc(C(=O)N2CCC(C(=O)N[C@H]3C[C@@H]4OCC[C@H]34)CC2)cc1 ZINC000218017457 537457121 /nfs/dbraw/zinc/45/71/21/537457121.db2.gz FVVDDLCKLJPHQH-SQNIBIBYSA-N 0 0 358.438 1.841 50 70 FDIARN CNC(=O)c1cccc(NC(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)c1 ZINC000217776177 537457938 /nfs/dbraw/zinc/45/79/38/537457938.db2.gz INKBZZVHSGFYFU-HNNXBMFYSA-N 0 0 366.377 1.126 50 70 FDIARN Cc1n[nH]c(CCC(=O)N[C@@H]2COCC[C@@H]2OCc2cscn2)c1C ZINC000218618805 537464694 /nfs/dbraw/zinc/46/46/94/537464694.db2.gz DJELTTHMTGHGPJ-CVEARBPZSA-N 0 0 364.471 1.906 50 70 FDIARN Cc1c2ccccc2oc1CNC(=O)CCN(C)[C@@H]1CCS(=O)(=O)C1 ZINC000218686493 537465832 /nfs/dbraw/zinc/46/58/32/537465832.db2.gz UZIVILPHTWZPNC-CQSZACIVSA-N 0 0 364.467 1.866 50 70 FDIARN Cc1cc(C)n(CCC(=O)N[C@H]2[C@@H](C3CCCC3)[C@H]3OCC[C@@H]23)c(=O)n1 ZINC000218767933 537466595 /nfs/dbraw/zinc/46/65/95/537466595.db2.gz GEFFNUROXDJKHE-AITUJVMLSA-N 0 0 359.470 1.960 50 70 FDIARN CNc1nc(N2CCn3nc([C@H](O)c4ccccc4)cc3C2)ncc1F ZINC000217211463 132272011 /nfs/dbraw/zinc/27/20/11/132272011.db2.gz SCPIRHWMDQSONK-MRXNPFEDSA-N 0 0 354.389 1.956 50 70 FDIARN Cc1nnc([C@@H]2CCCN2C(=O)CN2C(=O)COc3ccc(C)cc32)[nH]1 ZINC000218748473 132273260 /nfs/dbraw/zinc/27/32/60/132273260.db2.gz VWMCRNVZUZCAMA-ZDUSSCGKSA-N 0 0 355.398 1.511 50 70 FDIARN Cc1nc(CN2CCN(C(=O)c3ccc(N4CCOCC4)cc3)CC2)no1 ZINC000218639926 132273314 /nfs/dbraw/zinc/27/33/14/132273314.db2.gz NBILPTJTHLVMEH-UHFFFAOYSA-N 0 0 371.441 1.173 50 70 FDIARN CC[C@@H](Sc1nc2ccccc2o1)C(=O)NCCc1noc(CO)n1 ZINC000218462229 523084519 /nfs/dbraw/zinc/08/45/19/523084519.db2.gz AZAFQNHNBITFPN-GFCCVEGCSA-N 0 0 362.411 1.933 50 70 FDIARN COc1ccc(-c2noc(CNC(=O)Cc3nonc3C)n2)cc1OC ZINC000218081727 523291214 /nfs/dbraw/zinc/29/12/14/523291214.db2.gz YQXZTYOXXSSVFD-UHFFFAOYSA-N 0 0 359.342 1.304 50 70 FDIARN COC(=O)[C@H](C)NC(=O)c1cc(=O)c(OCc2cccc(Cl)c2)c[nH]1 ZINC000218380476 523883259 /nfs/dbraw/zinc/88/32/59/523883259.db2.gz PCGAHJDQIKXVTM-JTQLQIEISA-N 0 0 364.785 1.899 50 70 FDIARN CSCC[C@@H](CO)NC(=O)Cc1c(C)c2ccc(O)cc2oc1=O ZINC000217892132 525529906 /nfs/dbraw/zinc/52/99/06/525529906.db2.gz MTHWSDUAAYJSOR-NSHDSACASA-N 0 0 351.424 1.580 50 70 FDIARN C[C@H](O)c1cc2n(n1)CCN(C(=O)CCS(=O)(=O)c1ccccc1)C2 ZINC000216976312 525851456 /nfs/dbraw/zinc/85/14/56/525851456.db2.gz YAVUOOYBZMWGHC-ZDUSSCGKSA-N 0 0 363.439 1.143 50 70 FDIARN C[C@@H](O)c1cc2n(n1)CCCN(C(=O)CN(C)Cc1ccccc1F)C2 ZINC000217948893 525864491 /nfs/dbraw/zinc/86/44/91/525864491.db2.gz NXDPHRFQIRIACX-CQSZACIVSA-N 0 0 360.433 1.940 50 70 FDIARN Cn1ccc(NC(=O)C[C@@H]2NC(=O)N(Cc3ccccc3Cl)C2=O)n1 ZINC000218328987 527367990 /nfs/dbraw/zinc/36/79/90/527367990.db2.gz DBNNUPOGSAEHAU-LBPRGKRZSA-N 0 0 361.789 1.523 50 70 FDIARN Nc1ccsc1C(=O)N[C@H]1C[C@H](c2cc(N3CC[C@@H](O)C3)ncn2)C1 ZINC000218030837 527535618 /nfs/dbraw/zinc/53/56/18/527535618.db2.gz DRZWHXQHIORFSF-GRYCIOLGSA-N 0 0 359.455 1.367 50 70 FDIARN CC(C)[C@@H](CO)NC(=O)CC[C@@H]1NC(=O)N(CCc2ccccc2)C1=O ZINC000217642601 537455341 /nfs/dbraw/zinc/45/53/41/537455341.db2.gz BABQRDVADKRNIO-JKSUJKDBSA-N 0 0 361.442 1.063 50 70 FDIARN O=C(c1ccc2c(c1)OCO2)N1CC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 ZINC000217721529 537456589 /nfs/dbraw/zinc/45/65/89/537456589.db2.gz BLTXOVGXHHLYHN-ZIAGYGMSSA-N 0 0 354.362 1.191 50 70 FDIARN Cc1cc(C(=O)N2CCCN(S(=O)(=O)c3cnn(C)c3)CC2)c(C)o1 ZINC000217967517 537457615 /nfs/dbraw/zinc/45/76/15/537457615.db2.gz UIXZOAGODUAGPG-UHFFFAOYSA-N 0 0 366.443 1.167 50 70 FDIARN O=C(c1nc2ccccc2c(=O)[nH]1)N1CCCN(Cc2cccnc2)CC1 ZINC000217803689 537457773 /nfs/dbraw/zinc/45/77/73/537457773.db2.gz KYJZHSYNLYABCK-UHFFFAOYSA-N 0 0 363.421 1.666 50 70 FDIARN COc1cc([C@H](CC(N)=O)c2oc(C)cc(=O)c2O)cc2c1OCCO2 ZINC000217837669 537458012 /nfs/dbraw/zinc/45/80/12/537458012.db2.gz CNLKOZAQIVYPEN-NSHDSACASA-N 0 0 361.350 1.441 50 70 FDIARN Cc1[nH]c2c3c(cccc3F)nn2c(=O)c1CCC(=O)N1CCOCC1 ZINC000218299914 537461818 /nfs/dbraw/zinc/46/18/18/537461818.db2.gz DZTFERVKUBODEA-UHFFFAOYSA-N 0 0 358.373 1.415 50 70 FDIARN NC(=O)c1ccc(O[C@@H]2CCOC[C@H]2NC(=O)CCc2ccncc2)cc1 ZINC000218689372 537465390 /nfs/dbraw/zinc/46/53/90/537465390.db2.gz KLCSFGQBTKNXHT-QZTJIDSGSA-N 0 0 369.421 1.466 50 70 FDIARN CC(=O)Nc1cccc2c1ccn2CC(=O)NCc1nnc2ccccn21 ZINC000218121181 519749775 /nfs/dbraw/zinc/74/97/75/519749775.db2.gz CAWNRRKCDIBXJT-UHFFFAOYSA-N 0 0 362.393 1.959 50 70 FDIARN CO[C@@H]1CCOC[C@H]1NC(=O)CCSc1nnc(-c2ccncc2)o1 ZINC000218200497 523692398 /nfs/dbraw/zinc/69/23/98/523692398.db2.gz QTDMCKPRKZPNAJ-CHWSQXEVSA-N 0 0 364.427 1.534 50 70 FDIARN CCc1ccc(CN(C)C(=O)CCN(C)[C@@H]2CCS(=O)(=O)C2)nc1 ZINC000218435935 523918210 /nfs/dbraw/zinc/91/82/10/523918210.db2.gz CULAHVIYEDBMBJ-MRXNPFEDSA-N 0 0 353.488 1.111 50 70 FDIARN CCc1ccc(CN(C)C(=O)CCN(C)[C@H]2CCS(=O)(=O)C2)nc1 ZINC000218436035 523918534 /nfs/dbraw/zinc/91/85/34/523918534.db2.gz CULAHVIYEDBMBJ-INIZCTEOSA-N 0 0 353.488 1.111 50 70 FDIARN COc1ccc(CCS(=O)(=O)NCC[C@H](O)C2CCOCC2)cc1 ZINC000217925080 523979268 /nfs/dbraw/zinc/97/92/68/523979268.db2.gz HOJICSQOMNUCMR-KRWDZBQOSA-N 0 0 357.472 1.335 50 70 FDIARN Cc1cccc(N2CCN(C(=O)NC[C@@H]3CCCS3(=O)=O)CC2)c1C ZINC000159867055 524755401 /nfs/dbraw/zinc/75/54/01/524755401.db2.gz FGKZERBRVZBIME-INIZCTEOSA-N 0 0 365.499 1.712 50 70 FDIARN CS(=O)(=O)c1ccc(C2(C(=O)NCc3nnc(N)s3)CCC2)cc1 ZINC000218441748 525243356 /nfs/dbraw/zinc/24/33/56/525243356.db2.gz DHDIZMKJGVGPNS-UHFFFAOYSA-N 0 0 366.468 1.262 50 70 FDIARN Cc1[nH]c2c(cccc2C(=O)N2CCn3nc([C@H](O)CO)cc3C2)c1C ZINC000217432521 525418445 /nfs/dbraw/zinc/41/84/45/525418445.db2.gz NZAWOQQEXXCLAR-QGZVFWFLSA-N 0 0 354.410 1.663 50 70 FDIARN COc1cccc(N2CCN(C(=O)Cn3cc(OC)c(=O)cc3C)CC2)c1 ZINC000218360085 526147682 /nfs/dbraw/zinc/14/76/82/526147682.db2.gz VCMOBQWOCOBJMT-UHFFFAOYSA-N 0 0 371.437 1.523 50 70 FDIARN O=C(CCN1CCn2nc([C@@H](O)C3CC3)cc2C1)NCc1cccs1 ZINC000218427333 526494957 /nfs/dbraw/zinc/49/49/57/526494957.db2.gz JJHFFBUGGQJBFD-SFHVURJKSA-N 0 0 360.483 1.910 50 70 FDIARN O=C(CN1CCOc2ccccc2C1)N[C@H]1CCCN(c2cnccn2)C1 ZINC000217691020 526797248 /nfs/dbraw/zinc/79/72/48/526797248.db2.gz JMPDNYJIQCAVOB-KRWDZBQOSA-N 0 0 367.453 1.456 50 70 FDIARN Cc1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCn4nc(CO)cc4C3)cc12 ZINC000217650601 537454860 /nfs/dbraw/zinc/45/48/60/537454860.db2.gz MROMQDCODQOIHF-UHFFFAOYSA-N 0 0 374.422 1.142 50 70 FDIARN C[C@@H](O)c1cc2n(n1)CCN(C(=O)c1cc(=O)[nH]c3ccc(F)cc31)C2 ZINC000217929262 537456772 /nfs/dbraw/zinc/45/67/72/537456772.db2.gz YNQVJDNPWYEDIL-SNVBAGLBSA-N 0 0 356.357 1.573 50 70 FDIARN Cc1nc(=O)[nH]c(C)c1CCC(=O)N[C@@H](c1cnn(C)c1)[C@H]1C[C@@H](O)C1 ZINC000218121029 537458455 /nfs/dbraw/zinc/45/84/55/537458455.db2.gz KQNHIWBTKYFDMK-SUYBPPKGSA-N 0 0 359.430 1.094 50 70 FDIARN C[C@@H](NS(C)(=O)=O)C(=O)NCCCc1nc2cc(Cl)ccc2[nH]1 ZINC000218061371 537458880 /nfs/dbraw/zinc/45/88/80/537458880.db2.gz WRGDHDAMKBDOAY-SECBINFHSA-N 0 0 358.851 1.203 50 70 FDIARN Cc1cnn(C)c1S(=O)(=O)N[C@@H]1CCOC[C@H]1OCc1ccccc1 ZINC000218554771 537463852 /nfs/dbraw/zinc/46/38/52/537463852.db2.gz NZCBEIVUTZAQQP-HZPDHXFCSA-N 0 0 365.455 1.381 50 70 FDIARN C[C@H](Cn1cccn1)C(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000218782694 537467879 /nfs/dbraw/zinc/46/78/79/537467879.db2.gz DOAHJTGUHRRRGV-SNVBAGLBSA-N 0 0 374.392 1.738 50 70 FDIARN Cc1nc([C@@H]2CCCN(C(=O)Cn3cnc4ccccc4c3=O)C2)no1 ZINC000217397803 568181660 /nfs/dbraw/zinc/18/16/60/568181660.db2.gz KCDGTUFXZCLXCK-CYBMUJFWSA-N 0 0 353.382 1.494 50 70 FDIARN C[C@H](O)c1cc2n(n1)CCCN(C(=O)c1ccc(-c3nnn(C)n3)cc1)C2 ZINC000218006831 222675374 /nfs/dbraw/zinc/67/53/74/222675374.db2.gz WJLLKJGCHZGINC-LBPRGKRZSA-N 0 0 367.413 1.173 50 70 FDIARN C[C@@H](O)c1cc2n(n1)CCN(C(=O)CCn1c(=O)[nH]c3ccccc31)C2 ZINC000217962070 222675801 /nfs/dbraw/zinc/67/58/01/222675801.db2.gz MZVCTBCMIKTOCK-GFCCVEGCSA-N 0 0 355.398 1.012 50 70 FDIARN O=C(NC[C@@H]1CCCS1(=O)=O)N1CCCN(c2ccccc2)CC1 ZINC000160025583 173696229 /nfs/dbraw/zinc/69/62/29/173696229.db2.gz ULFZSPUFGDMLLD-INIZCTEOSA-N 0 0 351.472 1.486 50 70 FDIARN COC(=O)c1ccc(S(=O)(=O)NCC[C@H](O)c2ccsc2)cc1 ZINC000217539844 522156133 /nfs/dbraw/zinc/15/61/33/522156133.db2.gz VWWNAUFDXHNQEN-AWEZNQCLSA-N 0 0 355.437 1.937 50 70 FDIARN CN(C)C(=O)C[C@@H](O)c1cc2n(n1)CCN(Cc1ccc(F)cc1F)C2 ZINC000218241052 523998500 /nfs/dbraw/zinc/99/85/00/523998500.db2.gz OZCXKLMBSOMTBB-QGZVFWFLSA-N 0 0 364.396 1.689 50 70 FDIARN Cn1cnc(-c2ccc(NC(=O)N3CC[C@@H](N4CCOCC4)C3)cc2)n1 ZINC000160918922 524997012 /nfs/dbraw/zinc/99/70/12/524997012.db2.gz MCSUDENBDYTDKP-MRXNPFEDSA-N 0 0 356.430 1.421 50 70 FDIARN CC[C@@H](O)CN1CCN(C(=O)Nc2ccc(-c3ncn(C)n3)cc2)CC1 ZINC000161080752 525027971 /nfs/dbraw/zinc/02/79/71/525027971.db2.gz UCONHQQTRFUCMT-MRXNPFEDSA-N 0 0 358.446 1.403 50 70 FDIARN Cc1[nH][nH]c(=O)c1[C@H](CC(N)=O)c1cccc(OCc2ccccn2)c1 ZINC000218343954 525399654 /nfs/dbraw/zinc/39/96/54/525399654.db2.gz XXYNVIMNHLTYGV-MRXNPFEDSA-N 0 0 352.394 1.993 50 70 FDIARN COc1cccc(CC(=O)N[C@H]2C[C@H](c3nnc(CO)n3C3CC3)C2)c1 ZINC000218056208 525875539 /nfs/dbraw/zinc/87/55/39/525875539.db2.gz JZHAJKBFAUZOCO-OKILXGFUSA-N 0 0 356.426 1.719 50 70 FDIARN Cc1ccc2[nH]c(COCC(=O)N3CCn4nc(CO)cc4C3)nc2c1 ZINC000216943117 526250125 /nfs/dbraw/zinc/25/01/25/526250125.db2.gz PMAFRKLMGHUUOB-UHFFFAOYSA-N 0 0 355.398 1.119 50 70 FDIARN Cn1nc(C(=O)NCCc2noc([C@H]3CCCO3)n2)c2ccccc2c1=O ZINC000217010082 527544373 /nfs/dbraw/zinc/54/43/73/527544373.db2.gz FQFBTYSVDMUZLG-CYBMUJFWSA-N 0 0 369.381 1.141 50 70 FDIARN C[C@H](O)c1cc2n(n1)CCCN(C(=O)c1nc3ccccc3[nH]c1=O)C2 ZINC000217148861 537451598 /nfs/dbraw/zinc/45/15/98/537451598.db2.gz APVYWTDWDLYOHU-NSHDSACASA-N 0 0 353.382 1.219 50 70 FDIARN O=C(CN1CCc2ccccc2C1)N1CCCO[C@@H](Cn2cccn2)C1 ZINC000217077833 537452160 /nfs/dbraw/zinc/45/21/60/537452160.db2.gz QWLKFNFEJSXEMJ-LJQANCHMSA-N 0 0 354.454 1.559 50 70 FDIARN CCc1nn(C)c(Cl)c1CN1CCCn2nc([C@H](O)CO)cc2C1 ZINC000217169882 537453819 /nfs/dbraw/zinc/45/38/19/537453819.db2.gz DFKUHDWRMPOHAY-OAHLLOKOSA-N 0 0 353.854 1.264 50 70 FDIARN O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1C1CN(S(=O)(=O)CCc2ccccc2)C1 ZINC000217738400 537457044 /nfs/dbraw/zinc/45/70/44/537457044.db2.gz QEMHKVFNMZWADB-CALCHBBNSA-N 0 0 374.462 1.194 50 70 FDIARN C[C@@H](O)c1cc2n(n1)CCCN(Cc1cc(=O)n3cccc(O)c3n1)C2 ZINC000217757155 537457826 /nfs/dbraw/zinc/45/78/26/537457826.db2.gz SOEONZGBOOGKBZ-GFCCVEGCSA-N 0 0 355.398 1.056 50 70 FDIARN O=C(c1cc(-n2cnnn2)ccc1O)N1CC[C@](O)(c2ccccc2)C1 ZINC000218191137 537461435 /nfs/dbraw/zinc/46/14/35/537461435.db2.gz GFJAOOFGQJMTBL-GOSISDBHSA-N 0 0 351.366 1.102 50 70 FDIARN COC(=O)[C@@H](NC(=O)Cn1nc(-c2ccccc2F)ccc1=O)C(C)C ZINC000218300358 537462142 /nfs/dbraw/zinc/46/21/42/537462142.db2.gz ARQWAHAAOFGPLJ-KRWDZBQOSA-N 0 0 361.373 1.363 50 70 FDIARN Cc1nc([C@@H]2CCCN(C(=O)COc3ccc(-n4cnnn4)cc3)C2)no1 ZINC000218707097 537466013 /nfs/dbraw/zinc/46/60/13/537466013.db2.gz XHKPIKWCSVJXKQ-CYBMUJFWSA-N 0 0 369.385 1.139 50 70 FDIARN O=C(N[C@@H]1CCOC[C@H]1OCC1CCC1)c1nc2ccccc2[nH]c1=O ZINC000218756359 537466524 /nfs/dbraw/zinc/46/65/24/537466524.db2.gz MPLSCXDGYQZGBQ-HZPDHXFCSA-N 0 0 357.410 1.627 50 70 FDIARN CN(C[C@@]1(c2ccccc2)CC1(C)C)C(=O)c1c[nH]nc1-n1cnnn1 ZINC000217646434 222673772 /nfs/dbraw/zinc/67/37/72/222673772.db2.gz KWAAMYNJZUMNGW-GOSISDBHSA-N 0 0 351.414 1.825 50 70 FDIARN C[C@H](O)c1cc2n(n1)CCN(c1cc(C(=O)N3CCCCC3)ccn1)C2 ZINC000217095383 132272079 /nfs/dbraw/zinc/27/20/79/132272079.db2.gz WHWQBIJOADNHKF-AWEZNQCLSA-N 0 0 355.442 1.978 50 70 FDIARN CN(C)C(=O)CNS(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000159677317 173685589 /nfs/dbraw/zinc/68/55/89/173685589.db2.gz VYRTZTUUDDMAHX-UHFFFAOYSA-N 0 0 373.631 1.608 50 70 FDIARN CN(C)C(=O)C[C@@H](O)c1cc2n(n1)CCN(C(=O)Cc1ccsc1)C2 ZINC000218203001 523998003 /nfs/dbraw/zinc/99/80/03/523998003.db2.gz YGDQNUGLHOSSPS-OAHLLOKOSA-N 0 0 362.455 1.041 50 70 FDIARN C[C@H](Oc1ccccc1)C(=O)N1CC(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)C1 ZINC000217721633 525952930 /nfs/dbraw/zinc/95/29/30/525952930.db2.gz HTNDDOLHEQGGHW-RRQGHBQHSA-N 0 0 354.406 1.616 50 70 FDIARN O=C(CC1=CSC2=NCCCN12)NCCCc1nnc2ccccn21 ZINC000218271002 526340954 /nfs/dbraw/zinc/34/09/54/526340954.db2.gz ABCZDWKRKNNGDY-UHFFFAOYSA-N 0 0 356.455 1.818 50 70 FDIARN O=C(Cc1cn2ccsc2n1)N[C@@H](Cc1ccccn1)[C@H]1C[C@H](O)C1 ZINC000218552446 527322938 /nfs/dbraw/zinc/32/29/38/527322938.db2.gz MWAXCEPCQMZZEF-MAZHCROVSA-N 0 0 356.451 1.832 50 70 FDIARN Cn1cccc(C(=O)NC[C@@H]2CCCN2c2nc3ccccc3o2)c1=O ZINC000217638727 537455708 /nfs/dbraw/zinc/45/57/08/537455708.db2.gz TYORMCMSTDELIQ-ZDUSSCGKSA-N 0 0 352.394 1.925 50 70 FDIARN O=C(Cc1ccc(Br)cc1)N1CC(N2C(=O)CSC2=O)C1 ZINC000217745752 537457262 /nfs/dbraw/zinc/45/72/62/537457262.db2.gz HAQFCKVMBJARKE-UHFFFAOYSA-N 0 0 369.240 1.898 50 70 FDIARN O=C(Nc1ccc2nc[nH]c(=O)c2c1)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000218163451 537461710 /nfs/dbraw/zinc/46/17/10/537461710.db2.gz ASYOOYRLITXDPC-LLVKDONJSA-N 0 0 352.350 1.503 50 70 FDIARN Cc1cc(CN2CCn3nc([C@@H](O)CS(C)(=O)=O)cc3C2)ccc1F ZINC000218157919 537462152 /nfs/dbraw/zinc/46/21/52/537462152.db2.gz PSHBSROABSAQSZ-KRWDZBQOSA-N 0 0 367.446 1.424 50 70 FDIARN Cc1ccc(O[C@H]2COCC[C@H]2NC(=O)c2cn3cccnc3n2)cn1 ZINC000218537181 537463414 /nfs/dbraw/zinc/46/34/14/537463414.db2.gz CPFGFBZEPJTQOU-ZBFHGGJFSA-N 0 0 353.382 1.399 50 70 FDIARN Cc1noc(C)c1CO[C@@H]1COCC[C@H]1NC(=O)c1cc(C)nc(C)n1 ZINC000218601904 537463550 /nfs/dbraw/zinc/46/35/50/537463550.db2.gz BHISNXUBDCXCCC-NVXWUHKLSA-N 0 0 360.414 1.802 50 70 FDIARN Cc1cc(F)ccc1CN1CCn2nc([C@@H](O)CC(=O)N(C)C)cc2C1 ZINC000218356003 537464218 /nfs/dbraw/zinc/46/42/18/537464218.db2.gz JTPGJJQVKRDWRN-SFHVURJKSA-N 0 0 360.433 1.858 50 70 FDIARN