smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccccc1CCNC(=O)[C@@H]1CC12CCN(Cc1ccc(Cl)cc1)CC2 ZINC000012099026 845853051 /nfs/dbraw/zinc/85/30/51/845853051.db2.gz AYCNRZCSADROKE-NRFANRHFSA-N 0 1 412.961 4.310 50 0 HIAAMN CC(=O)Nc1cccc(C(=O)N[C@H]2CCCN(Cc3ccc(CC(C)C)cc3)C2)c1 ZINC000014977785 845995502 /nfs/dbraw/zinc/99/55/02/845995502.db2.gz DDUFXKPENGCSBI-DEOSSOPVSA-N 0 1 407.558 4.238 50 0 HIAAMN Cc1ccccc1[C@H](CC(=O)N1CCC(CN2CCOCC2)CC1)c1ccccc1 ZINC000019641398 846371340 /nfs/dbraw/zinc/37/13/40/846371340.db2.gz DTTKLZQPZYSBIA-RUZDIDTESA-N 0 1 406.570 4.088 50 0 HIAAMN O=C(CCCCc1ccccc1)Nc1ccc(N2CCC(N3CCOCC3)CC2)cc1 ZINC000020449214 846383677 /nfs/dbraw/zinc/38/36/77/846383677.db2.gz LSCNFRKKUKKFAL-UHFFFAOYSA-N 0 1 421.585 4.339 50 0 HIAAMN CCN(Cc1ccncc1)[C@@H]1CCCN(Cc2coc3ccc(Cl)cc3c2=O)C1 ZINC000022914611 846636653 /nfs/dbraw/zinc/63/66/53/846636653.db2.gz UEUAQPQXVCDSRI-HXUWFJFHSA-N 0 1 411.933 4.328 50 0 HIAAMN Cn1c(=O)c(CN2CCN(C/C=C/c3ccccc3)CC2)cc2ccc(Cl)cc21 ZINC000023339524 846686655 /nfs/dbraw/zinc/68/66/55/846686655.db2.gz XGXQFUADDZVRJJ-VMPITWQZSA-N 0 1 407.945 4.023 50 0 HIAAMN CC(C)c1ccc(N[C@@H]2CCCN(Cc3cnc(N4CCOCC4)s3)C2)cc1 ZINC000055371434 850008319 /nfs/dbraw/zinc/00/83/19/850008319.db2.gz ROKBMCVPKUXHNP-HXUWFJFHSA-N 0 1 400.592 4.180 50 0 HIAAMN Fc1ccc(C=Cc2n[nH]c(SCCCc3nc(-c4cccnc4)no3)n2)cc1 ZINC000096941428 852560157 /nfs/dbraw/zinc/56/01/57/852560157.db2.gz NFVTVIHXDPHRNO-YFHOEESVSA-N 0 1 408.462 4.284 50 0 HIAAMN CCOC(=O)c1[nH]c(C)c(C(=O)CSc2nc(C=Cc3ccccc3)n[nH]2)c1C ZINC000096941490 852560166 /nfs/dbraw/zinc/56/01/66/852560166.db2.gz SLRKRFXBFLGBLM-KHPPLWFESA-N 0 1 410.499 4.072 50 0 HIAAMN O=C(c1cccc(Cl)c1)N1CCC(OC2CCN(Cc3cccnc3)CC2)CC1 ZINC000169792724 853664663 /nfs/dbraw/zinc/66/46/63/853664663.db2.gz DNAODKJOJRWQSA-UHFFFAOYSA-N 0 1 413.949 4.021 50 0 HIAAMN COc1ccc(C=N/N=C2\NC(=O)C(Cc3ccc(SC(F)F)cc3)S2)cc1 ZINC000254520551 854212020 /nfs/dbraw/zinc/21/20/20/854212020.db2.gz PLXYNRAXHIJMSD-MRXNPFEDSA-N 0 1 421.494 4.174 50 0 HIAAMN CCn1cc(CN2CCC(N3C(=O)C4(CCCCC4)[C@H]3c3ccncc3)CC2)c(C)n1 ZINC000257187008 854234149 /nfs/dbraw/zinc/23/41/49/854234149.db2.gz LDYCHPCTGGCKMZ-HSZRJFAPSA-N 0 1 421.589 4.105 50 0 HIAAMN Cc1ccc(-c2cc(C(=O)N3CC(F)(F)C[C@H]3COc3cccnc3)n[nH]2)c(C)c1 ZINC000409420753 855484243 /nfs/dbraw/zinc/48/42/43/855484243.db2.gz XTWABRDDCAMQJW-INIZCTEOSA-N 0 1 412.440 4.017 50 0 HIAAMN Cc1cnc(C2CCOCC2)n1[C@@H]1CCCN(C(=O)c2nccc3ccccc32)C1 ZINC000575547004 948677324 /nfs/dbraw/zinc/67/73/24/948677324.db2.gz VTPMXHVIXAEXGY-HXUWFJFHSA-N 0 1 404.514 4.111 50 0 HIAAMN CN1CCN(c2ccc(Cl)cc2NC(=O)c2ccccc2Br)CC1 ZINC000003552989 132266856 /nfs/dbraw/zinc/26/68/56/132266856.db2.gz ACOGVJFNYDDNCQ-UHFFFAOYSA-N 0 1 408.727 4.107 50 0 HIAAMN CCOC(=O)c1ccc(N2CCN(CC)CC2)c(NC(=O)c2cc3ccccc3o2)c1 ZINC000004711733 132285349 /nfs/dbraw/zinc/28/53/49/132285349.db2.gz ZIEFAYJLPBHRMX-UHFFFAOYSA-N 0 1 421.497 4.004 50 0 HIAAMN CCCSc1nc2sc3c(c2c(N2CCN(CC)CC2)n1)CC(C)(C)OC3 ZINC000005156891 132303449 /nfs/dbraw/zinc/30/34/49/132303449.db2.gz BVIWEFZLTSXUPD-UHFFFAOYSA-N 0 1 406.621 4.187 50 0 HIAAMN COc1cc(OC)c(NS(=O)(=O)c2cc(-c3cc(C)no3)ccc2C)cc1Cl ZINC000020580073 522814469 /nfs/dbraw/zinc/81/44/69/522814469.db2.gz OQTWFDDVSBIVEP-UHFFFAOYSA-N 0 1 422.890 4.430 50 0 HIAAMN COc1cc(OC)cc(C(=O)N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000032848487 522846147 /nfs/dbraw/zinc/84/61/47/522846147.db2.gz RXXXVXKZFNDHGX-UHFFFAOYSA-N 0 1 422.447 4.071 50 0 HIAAMN COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCCN(Cc3c[nH]c(C)n3)C2)cc1 ZINC000042917348 523139667 /nfs/dbraw/zinc/13/96/67/523139667.db2.gz KFEVVEDGULOEOQ-LJQANCHMSA-N 0 1 404.514 4.244 50 0 HIAAMN Cc1ccc(NC(=O)COc2ccccc2CNCc2ccc3c(c2)OCO3)cc1 ZINC000040732807 525072799 /nfs/dbraw/zinc/07/27/99/525072799.db2.gz FGRNGBCRKWELOT-UHFFFAOYSA-N 0 1 404.466 4.031 50 0 HIAAMN COc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3)C(=O)N2Cc2ccco2)c(OC)c1 ZINC000040337149 525276717 /nfs/dbraw/zinc/27/67/17/525276717.db2.gz LFELQMAOSWWLGU-HSZRJFAPSA-N 0 1 415.449 4.432 50 0 HIAAMN COc1ccc([C@H](CNC(=O)c2cc(-c3ccc(C)c(C)c3)on2)N(C)C)cc1OC ZINC000032622174 525357009 /nfs/dbraw/zinc/35/70/09/525357009.db2.gz WHMDVDVKBZZRRF-FQEVSTJZSA-N 0 1 423.513 4.008 50 0 HIAAMN Cc1ccc(C(=O)NCCN2CCc3ccccc3C2)cc1NC(=O)c1ccccc1 ZINC000032827381 526164714 /nfs/dbraw/zinc/16/47/14/526164714.db2.gz UKNXYGONGXFGRE-UHFFFAOYSA-N 0 1 413.521 4.035 50 0 HIAAMN FC(F)(F)c1nnc2ccc(NC[C@@H](c3ccccc3Cl)N3CCCC3)nn21 ZINC000032869531 527691580 /nfs/dbraw/zinc/69/15/80/527691580.db2.gz FGLPUQMHQQAWDX-AWEZNQCLSA-N 0 1 410.831 4.046 50 0 HIAAMN CN1CCN(c2ccc(NC(=O)[C@@H](Sc3ccccc3)c3ccccc3)cn2)CC1 ZINC000012613578 536423767 /nfs/dbraw/zinc/42/37/67/536423767.db2.gz QZLSKYGTIHLHOO-QHCPKHFHSA-N 0 1 418.566 4.306 50 0 HIAAMN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)N3CCCCC3)ccc2Cl)c1 ZINC000000687842 557059683 /nfs/dbraw/zinc/05/96/83/557059683.db2.gz XAQDHFXCOFYUGD-UHFFFAOYSA-N 0 1 406.935 4.384 50 0 HIAAMN COc1ccc2nc(SCC(=O)Nc3ccc(OC(F)(F)Cl)cc3)[nH]c2c1 ZINC000000718571 557069022 /nfs/dbraw/zinc/06/90/22/557069022.db2.gz VCPGDABCOFUHKB-UHFFFAOYSA-N 0 1 413.833 4.470 50 0 HIAAMN CCOc1ccc([C@@H](c2sc3nc(C)nn3c2[O-])[N@H+]2CCC[C@@H](C)C2)cc1OC ZINC000022626127 557080372 /nfs/dbraw/zinc/08/03/72/557080372.db2.gz ZWBQGHGHGQBBGJ-ACJLOTCBSA-N 0 1 416.547 4.033 50 0 HIAAMN O=C(c1ccc(Br)cc1)c1ccc(CN2CCC3(CC2)OCCO3)cc1 ZINC000002514729 557353684 /nfs/dbraw/zinc/35/36/84/557353684.db2.gz ZXSGQTRKIKJMDY-UHFFFAOYSA-N 0 1 416.315 4.019 50 0 HIAAMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)cc2)c1 ZINC000002905744 557425425 /nfs/dbraw/zinc/42/54/25/557425425.db2.gz OEJLYPHUUFAINX-UHFFFAOYSA-N 0 1 416.886 4.402 50 0 HIAAMN CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2cccc3ccccc32)NC(=O)N1 ZINC000004113584 557514964 /nfs/dbraw/zinc/51/49/64/557514964.db2.gz GYAJJSKJAKYIJZ-QFIPXVFZSA-N 0 1 402.450 4.090 50 0 HIAAMN CC(=O)c1cc2c(cc1NC(=O)CSc1nc(C)c(-c3ccccc3)[nH]1)OCO2 ZINC000004945316 557615961 /nfs/dbraw/zinc/61/59/61/557615961.db2.gz BYVKLJAXLQUGNI-UHFFFAOYSA-N 0 1 409.467 4.047 50 0 HIAAMN COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(C)cc2)cc1 ZINC000002765996 557759994 /nfs/dbraw/zinc/75/99/94/557759994.db2.gz YPCCBPIQDRKPES-UHFFFAOYSA-N 0 1 411.483 4.448 50 0 HIAAMN CCc1nc2sc([C@@H](c3cccc(OC)c3)[N@@H+]3C[C@H](C)C[C@H](C)C3)c([O-])n2n1 ZINC000022853965 557840424 /nfs/dbraw/zinc/84/04/24/557840424.db2.gz BSWFQJZLRPXYEV-QWQRMKEZSA-N 0 1 400.548 4.135 50 0 HIAAMN COc1cc(-c2n[nH]cc2CN2CCCC[C@H]2c2cccnc2)cc(OC)c1OC ZINC000011818849 558282106 /nfs/dbraw/zinc/28/21/06/558282106.db2.gz PCXIFDHTXODMFO-IBGZPJMESA-N 0 1 408.502 4.225 50 0 HIAAMN CN(C)[C@@H](CNC(=O)c1cc(-c2ccc(Br)cc2)on1)c1cccs1 ZINC000019796724 558284386 /nfs/dbraw/zinc/28/43/86/558284386.db2.gz PKCMNOGGLOLSIX-HNNXBMFYSA-N 0 1 420.332 4.198 50 0 HIAAMN O=C(c1ccc(C(F)(F)F)cc1)[C@@H]1CCCN(Cc2ccc(OCCO)cc2)C1 ZINC000011838316 558285328 /nfs/dbraw/zinc/28/53/28/558285328.db2.gz YCMAOSOKMQWYKJ-GOSISDBHSA-N 0 1 407.432 4.171 50 0 HIAAMN OC[C@]1(Cc2ccccc2F)CCCN(Cc2cnn(-c3ccccc3Cl)c2)C1 ZINC000012049145 558313642 /nfs/dbraw/zinc/31/36/42/558313642.db2.gz IXXKHDSUAUKKHZ-QHCPKHFHSA-N 0 1 413.924 4.482 50 0 HIAAMN CCCc1ncc(CN2CCC(C(=O)Nc3cccc(-c4cscn4)c3)CC2)cn1 ZINC000012058253 558316943 /nfs/dbraw/zinc/31/69/43/558316943.db2.gz PQTKEQUWUFYYIN-UHFFFAOYSA-N 0 1 421.570 4.403 50 0 HIAAMN Cc1ccc(Cl)cc1N1CCN(C[C@H](O)CO[C@@H]2C[C@H](C)CC(C)(C)C2)CC1 ZINC000020109743 558335055 /nfs/dbraw/zinc/33/50/55/558335055.db2.gz AZACNPZCGAGACO-DZFGPLHGSA-N 0 1 409.014 4.363 50 0 HIAAMN COc1ccc2[nH]cc([C@@H](O)CN3CCN(c4cccc(C(F)(F)F)c4)CC3)c2c1 ZINC000020392509 558359385 /nfs/dbraw/zinc/35/93/85/558359385.db2.gz IPGPAPUYJISELY-NRFANRHFSA-N 0 1 419.447 4.051 50 0 HIAAMN Cc1ccc(CNCc2c(C(=O)N(C)CCc3ccccc3)nc3sccn32)cc1 ZINC000012314276 558377837 /nfs/dbraw/zinc/37/78/37/558377837.db2.gz MJDJFNCRJUYRQX-UHFFFAOYSA-N 0 1 418.566 4.309 50 0 HIAAMN Cc1ncc(CN2CCC[C@H](C(=O)Nc3cccc(-c4ccc(F)cc4)c3)C2)n1C ZINC000012317447 558380876 /nfs/dbraw/zinc/38/08/76/558380876.db2.gz GADAAJADYMUHKV-FQEVSTJZSA-N 0 1 406.505 4.385 50 0 HIAAMN O=C(CC1C(=O)Nc2nc(-c3ccc(Cl)cc3)nn21)Nc1cccc2ccccc21 ZINC000020724900 558404405 /nfs/dbraw/zinc/40/44/05/558404405.db2.gz CJYKDEOEEJYWBI-GOSISDBHSA-N 0 1 417.856 4.274 50 0 HIAAMN O=C([O-])[C@@H](c1c[nH]c2cc(F)ccc21)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000020725572 558404735 /nfs/dbraw/zinc/40/47/35/558404735.db2.gz AFTFCNBTGVJVEX-XMMPIXPASA-N 0 1 417.484 4.404 50 0 HIAAMN CN(C)[C@@H](CNC(=O)C1=C(c2ccccc2)SCCO1)c1ccc(Cl)cc1 ZINC000020729347 558406027 /nfs/dbraw/zinc/40/60/27/558406027.db2.gz MTGVPCRBVDBCIU-SFHVURJKSA-N 0 1 402.947 4.191 50 0 HIAAMN Cc1ccc(NC(=O)CC2C(=O)Nc3nc(-c4ccc(Cl)cc4)nn32)cc1Cl ZINC000020730918 558406705 /nfs/dbraw/zinc/40/67/05/558406705.db2.gz GCQMFZKJFKHQBI-HNNXBMFYSA-N 0 1 416.268 4.082 50 0 HIAAMN OCC[C@@H]1CN(Cc2cccc(OC3CCCC3)c2)CCN1Cc1cccs1 ZINC000020877760 558419390 /nfs/dbraw/zinc/41/93/90/558419390.db2.gz XDUWKTSBZXLRDI-HXUWFJFHSA-N 0 1 400.588 4.138 50 0 HIAAMN Cc1cc(C)c(-c2[nH]nc3c2[C@H](c2ccccc2F)N(C[C@H]2CCCO2)C3=O)c(O)c1 ZINC000021782978 558448501 /nfs/dbraw/zinc/44/85/01/558448501.db2.gz YMJLIUVPRVSDTP-CMJOXMDJSA-N 0 1 421.472 4.262 50 0 HIAAMN CCOc1ccccc1-c1nc(CC(=O)NC[C@H](c2cccs2)N(C)C)cs1 ZINC000012883899 558483157 /nfs/dbraw/zinc/48/31/57/558483157.db2.gz DENCVNGVFBENBM-QGZVFWFLSA-N 0 1 415.584 4.232 50 0 HIAAMN C[C@@H](C(=O)NCc1cccs1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022774458 558509157 /nfs/dbraw/zinc/50/91/57/558509157.db2.gz PAPXPQUVLHPRJZ-FQEVSTJZSA-N 0 1 419.594 4.160 50 0 HIAAMN CCOc1cc(CN[C@H](C)c2ccc(F)c(F)c2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000022785019 558510570 /nfs/dbraw/zinc/51/05/70/558510570.db2.gz BKRWBDPITHAZNA-CABCVRRESA-N 0 1 406.473 4.070 50 0 HIAAMN O=C1c2n[nH]c(-c3ccccc3O)c2[C@H](c2cccc(Cl)c2)N1C[C@H]1CCCO1 ZINC000013126990 558518882 /nfs/dbraw/zinc/51/88/82/558518882.db2.gz LJTITOJDLYCUGS-VFNWGFHPSA-N 0 1 409.873 4.160 50 0 HIAAMN O=C(NC[C@H]1CCC2(CCN(C/C(Cl)=C/c3ccccc3)CC2)O1)c1ccco1 ZINC000023128834 558536556 /nfs/dbraw/zinc/53/65/56/558536556.db2.gz JQGXUIWSOJQTQM-RMWKRFJVSA-N 0 1 414.933 4.303 50 0 HIAAMN CC(C)Cc1cc(-c2nn3c(nnc3-c3ccccc3Br)s2)[nH]n1 ZINC000013550450 558538992 /nfs/dbraw/zinc/53/89/92/558538992.db2.gz SVAZVHMFLWLJTE-UHFFFAOYSA-N 0 1 403.309 4.204 50 0 HIAAMN Cc1ncc(-c2ccc(F)cc2)c([C@@H]2CCCN(C(=O)c3cc(C(C)C)[nH]n3)C2)n1 ZINC000023158610 558539910 /nfs/dbraw/zinc/53/99/10/558539910.db2.gz RIXAPRPBOFYQDH-QGZVFWFLSA-N 0 1 407.493 4.457 50 0 HIAAMN CCc1nc2ccc(C(=O)Nc3ccc(N4CCN(C)CC4)cc3C)cc2nc1CC ZINC000023689238 558568074 /nfs/dbraw/zinc/56/80/74/558568074.db2.gz WOAYWAGDSYEBGX-UHFFFAOYSA-N 0 1 417.557 4.067 50 0 HIAAMN CCOC(=O)C[C@@H](c1ccc(F)cc1)C1CCN(C(=O)c2[nH]nc3ccccc32)CC1 ZINC000023900467 558580654 /nfs/dbraw/zinc/58/06/54/558580654.db2.gz OQPZQBYNNIFOPG-FQEVSTJZSA-N 0 1 423.488 4.291 50 0 HIAAMN O=C(Nc1nc(-c2ccccc2Br)n[nH]1)c1cc2c(s1)CCCC2 ZINC000014070475 558617467 /nfs/dbraw/zinc/61/74/67/558617467.db2.gz GAPUTWMJOGCWHC-UHFFFAOYSA-N 0 1 403.305 4.427 50 0 HIAAMN COc1cccc([C@@H](CNC(=O)c2ccc(C3SCCS3)cc2)N(C)C)c1 ZINC000014182284 558628794 /nfs/dbraw/zinc/62/87/94/558628794.db2.gz IYWQOUGWXGNQAS-LJQANCHMSA-N 0 1 402.585 4.207 50 0 HIAAMN COCc1c2ccccc2oc1C(=O)NC[C@@H](c1ccccc1OC)N1CCCC1 ZINC000014202136 558637384 /nfs/dbraw/zinc/63/73/84/558637384.db2.gz UGKGOJLMMSICGB-FQEVSTJZSA-N 0 1 408.498 4.155 50 0 HIAAMN C[C@@H](C(=O)N1CCC(Cc2ccccc2)CC1)N1CC=C(c2ccc(O)cc2)CC1 ZINC000025680419 558647606 /nfs/dbraw/zinc/64/76/06/558647606.db2.gz LWMNSMXOTVCFRC-FQEVSTJZSA-N 0 1 404.554 4.351 50 0 HIAAMN Cc1cccnc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC000027651691 558677695 /nfs/dbraw/zinc/67/76/95/558677695.db2.gz CSCVVBJJTKCRGZ-UHFFFAOYSA-N 0 1 419.865 4.236 50 0 HIAAMN CC(C)Oc1cccc(C(=O)[C@@H]2CCCN(Cc3ccc(N4CCNC4=O)cc3)C2)c1 ZINC000014954504 558682060 /nfs/dbraw/zinc/68/20/60/558682060.db2.gz CPVXCXKQDBIDAZ-OAQYLSRUSA-N 0 1 421.541 4.098 50 0 HIAAMN O=C(NCc1ccccc1)c1cccc(OC2CCN(Cc3ccccn3)CC2)c1 ZINC000015064579 558707517 /nfs/dbraw/zinc/70/75/17/558707517.db2.gz UFCUJNCNUAKHOP-UHFFFAOYSA-N 0 1 401.510 4.055 50 0 HIAAMN Cc1cc(Cl)ccc1C(=O)[C@@H]1CCCN(Cc2ccc(N3CCNC3=O)cc2)C1 ZINC000015065516 558708433 /nfs/dbraw/zinc/70/84/33/558708433.db2.gz CNUABROAFJAPBN-GOSISDBHSA-N 0 1 411.933 4.273 50 0 HIAAMN CC1(CCC(=O)N2CCC[C@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)CC1 ZINC000015072915 558713979 /nfs/dbraw/zinc/71/39/79/558713979.db2.gz SDIQZKLSJSBSET-FQEVSTJZSA-N 0 1 423.523 4.399 50 0 HIAAMN CCOC(=O)[C@@]1(Cc2cccc(Cl)c2)CCCN(C(=O)c2cc(C(C)C)[nH]n2)C1 ZINC000015075338 558715882 /nfs/dbraw/zinc/71/58/82/558715882.db2.gz LHBAWIVKQNDLPE-JOCHJYFZSA-N 0 1 417.937 4.215 50 0 HIAAMN O=C(NC[C@H]1CCCN(Cc2nc3ccccc3s2)C1)c1cc2ccccc2[nH]1 ZINC000015075974 558716323 /nfs/dbraw/zinc/71/63/23/558716323.db2.gz WSAYSCABLJXUPG-MRXNPFEDSA-N 0 1 404.539 4.420 50 0 HIAAMN CCN(CC)[C@H](CNC(=O)CSc1nc(C2CC2)nc2ccccc21)c1ccco1 ZINC000029977813 558725058 /nfs/dbraw/zinc/72/50/58/558725058.db2.gz RPMPKHMBHLSLFV-LJQANCHMSA-N 0 1 424.570 4.392 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CCOc1ccc(CN2CCC[C@H](C(=O)c3cccc(OC(C)C)c3)C2)cc1CO ZINC000012465013 558420165 /nfs/dbraw/zinc/42/01/65/558420165.db2.gz KWHKUJDDKIUUDJ-NRFANRHFSA-N 0 1 411.542 4.460 50 0 HIAAMN Cc1ccc(OCc2nc(C(=O)Nc3ccc(N4CCN(C)CC4)cc3)cs2)cc1 ZINC000021836488 558451454 /nfs/dbraw/zinc/45/14/54/558451454.db2.gz AQAXOBNTZJBMJC-UHFFFAOYSA-N 0 1 422.554 4.035 50 0 HIAAMN COc1ccc(-n2cc(CNCc3cnn(C)c3C)c(-c3cccc(F)c3)n2)cc1 ZINC000012752986 558459258 /nfs/dbraw/zinc/45/92/58/558459258.db2.gz WLENYWLWNAQXKF-UHFFFAOYSA-N 0 1 405.477 4.019 50 0 HIAAMN CC(=O)N1CCc2cc(NS(=O)(=O)c3c(C)c(Cl)cc(C)c3Cl)ccc21 ZINC000022274595 558475613 /nfs/dbraw/zinc/47/56/13/558475613.db2.gz PHRYRLPTCHJECC-UHFFFAOYSA-N 0 1 413.326 4.320 50 0 HIAAMN COc1cccc(-c2nc3ccccc3c(N3CCN(c4ccccc4)CC3)n2)c1O ZINC000013125561 558518314 /nfs/dbraw/zinc/51/83/14/558518314.db2.gz KJCQFEGOYNVIJL-UHFFFAOYSA-N 0 1 412.493 4.338 50 0 HIAAMN N=C1Nc2nc3ccccc3n2[C@@H](c2cn(-c3ccccc3)nc2-c2cccs2)N1 ZINC000013282094 558528940 /nfs/dbraw/zinc/52/89/40/558528940.db2.gz XXULBLUIXKHKKE-FQEVSTJZSA-N 0 1 411.494 4.047 50 0 HIAAMN O=C(c1nc2ccccn2c1CN1CCC(Cc2ccccc2)CC1)N1CCCC1 ZINC000013596498 558547409 /nfs/dbraw/zinc/54/74/09/558547409.db2.gz ZUYOTAQRTRANRR-UHFFFAOYSA-N 0 1 402.542 4.025 50 0 HIAAMN CN(Cc1cccs1)C(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 ZINC000023581960 558562863 /nfs/dbraw/zinc/56/28/63/558562863.db2.gz HMXSEQVVMYUTOT-UHFFFAOYSA-N 0 1 421.566 4.459 50 0 HIAAMN COc1ccc(-c2n[nH]c(S[C@H](C)C(=O)Nc3cccc4ncccc43)n2)cc1 ZINC000024019705 558584877 /nfs/dbraw/zinc/58/48/77/558584877.db2.gz BQIBTJOUNZOKGB-CYBMUJFWSA-N 0 1 405.483 4.148 50 0 HIAAMN CCOc1ccccc1N1CCN(C(=O)c2cc(-c3ccccc3Cl)[nH]n2)CC1 ZINC000024963279 558622454 /nfs/dbraw/zinc/62/24/54/558622454.db2.gz SQXWLHMUDDMYPW-UHFFFAOYSA-N 0 1 410.905 4.091 50 0 HIAAMN COc1ccc(CC(=O)N[C@H](c2ccccc2)c2ccc3nc[nH]c3c2)c(OC)c1 ZINC000024978031 558623777 /nfs/dbraw/zinc/62/37/77/558623777.db2.gz PDMZTWNBQNIIJI-XMMPIXPASA-N 0 1 401.466 4.028 50 0 HIAAMN Cc1[nH]c(SC[C@H]2CSc3nnc(-c4ccncc4)n32)nc1Cc1ccccc1 ZINC000026012420 558653616 /nfs/dbraw/zinc/65/36/16/558653616.db2.gz UOAGNEVQVHGTLO-KRWDZBQOSA-N 0 1 420.567 4.402 50 0 HIAAMN COc1ccc([C@H](CNC(=O)c2c(C)nn(CC(C)C)c2Cl)N2CCCC2)cc1 ZINC000014701036 558663869 /nfs/dbraw/zinc/66/38/69/558663869.db2.gz YEDVFXMVNGFWNM-IBGZPJMESA-N 0 1 418.969 4.076 50 0 HIAAMN COc1ccccc1[C@@H](CNC(=O)c1cc(Cl)nc2ccccc21)N1CCCC1 ZINC000027571041 558675308 /nfs/dbraw/zinc/67/53/08/558675308.db2.gz DDMBEAPZUDZNRC-HXUWFJFHSA-N 0 1 409.917 4.464 50 0 HIAAMN COc1ccc([C@@H](CNC(=O)COc2ccc(C(C)(C)C)cc2)N2CCCC2)cc1 ZINC000027747700 558681696 /nfs/dbraw/zinc/68/16/96/558681696.db2.gz GSTAXMZVRAZYIN-HSZRJFAPSA-N 0 1 410.558 4.325 50 0 HIAAMN CN1CCN([C@@H](CNC(=O)c2cccc3ccccc32)c2ccc(Cl)cc2)CC1 ZINC000027793236 558682500 /nfs/dbraw/zinc/68/25/00/558682500.db2.gz SOFONKKUPINAKC-QHCPKHFHSA-N 0 1 407.945 4.212 50 0 HIAAMN Cc1ccccc1CN1CC[C@@H](N(C)Cc2nc(-c3ccccc3)no2)CCC1=O ZINC000014997408 558696632 /nfs/dbraw/zinc/69/66/32/558696632.db2.gz GVKPNTXJUXLEKB-NRFANRHFSA-N 0 1 404.514 4.058 50 0 HIAAMN CCc1ccc(CN2CCC(Oc3ccc(C(=O)NCc4ccncc4)cc3)CC2)o1 ZINC000015065041 558708079 /nfs/dbraw/zinc/70/80/79/558708079.db2.gz PQVZZTPHSPXKBF-UHFFFAOYSA-N 0 1 419.525 4.210 50 0 HIAAMN Cc1cc(Cl)ccc1C(=O)[C@H]1CCCN(Cc2ccc(N3CCNC3=O)cc2)C1 ZINC000015065517 558708383 /nfs/dbraw/zinc/70/83/83/558708383.db2.gz CNUABROAFJAPBN-SFHVURJKSA-N 0 1 411.933 4.273 50 0 HIAAMN CCOc1c(Br)cc(CNCc2ccc(N3CCCC3)nc2)cc1OC ZINC000030900207 558744468 /nfs/dbraw/zinc/74/44/68/558744468.db2.gz UCIDCTXSFOGWQM-UHFFFAOYSA-N 0 1 420.351 4.141 50 0 HIAAMN CC[C@H](C)NC(=O)c1cccc(CNC(=O)c2ccc(CN3CCCCC3)s2)c1 ZINC000072301617 558751947 /nfs/dbraw/zinc/75/19/47/558751947.db2.gz FLZJUBUOACYFDY-KRWDZBQOSA-N 0 1 413.587 4.192 50 0 HIAAMN Cc1ccc([C@@H](CNC(=O)COc2ccc(Br)cc2)N2CCCCC2)o1 ZINC000015860171 558757876 /nfs/dbraw/zinc/75/78/76/558757876.db2.gz MRAWUTVKFBHCIA-GOSISDBHSA-N 0 1 421.335 4.073 50 0 HIAAMN COc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(C)o3)N3CCC(C)CC3)no2)cc1 ZINC000015860528 558758429 /nfs/dbraw/zinc/75/84/29/558758429.db2.gz LWUUKLTUFSUKTI-NRFANRHFSA-N 0 1 423.513 4.455 50 0 HIAAMN COc1ccc([C@@H]2CCCN2CC(=O)N(C)Cc2ccc(Br)cc2)cc1 ZINC000016339218 558786875 /nfs/dbraw/zinc/78/68/75/558786875.db2.gz CJDIPKKPJXKBCL-FQEVSTJZSA-N 0 1 417.347 4.253 50 0 HIAAMN Cc1cccc(-c2n[nH]c(S[C@@H]3CC(=O)N(c4ccc(C)c(Cl)c4)C3=O)n2)c1 ZINC000018140854 558832010 /nfs/dbraw/zinc/83/20/10/558832010.db2.gz OITNYEDBGATJQF-MRXNPFEDSA-N 0 1 412.902 4.166 50 0 HIAAMN Cc1ccc2nc(N3CCC(C(=O)NCc4ccc(OC(C)C)cc4)CC3)[nH]c2c1 ZINC000033070908 558866378 /nfs/dbraw/zinc/86/63/78/558866378.db2.gz FNJSZSCANWPBEU-UHFFFAOYSA-N 0 1 406.530 4.191 50 0 HIAAMN CSc1cccc(NC(=O)N2CCC[C@H](N3CCN(c4ccccc4)CC3)C2)c1 ZINC000055225453 558876525 /nfs/dbraw/zinc/87/65/25/558876525.db2.gz YULFFNALFQOCKB-NRFANRHFSA-N 0 1 410.587 4.227 50 0 HIAAMN CCOC(=O)c1c(NC(=O)CN[C@H](C)c2ccccc2)sc2c1CCCCC2 ZINC000055439967 558881351 /nfs/dbraw/zinc/88/13/51/558881351.db2.gz DPILAFSUGRBIOW-OAHLLOKOSA-N 0 1 400.544 4.483 50 0 HIAAMN Cc1ccc(NC(=O)N2CCN(c3cc(C)nc(NC4CCCCC4)n3)CC2)cc1 ZINC000065362924 558973994 /nfs/dbraw/zinc/97/39/94/558973994.db2.gz KLVGGNXYKOZNNB-UHFFFAOYSA-N 0 1 408.550 4.192 50 0 HIAAMN COc1ccc(-c2cc(C(=O)N(C)[C@H](C)c3cc(-c4ccccc4)n[nH]3)n[nH]2)cc1 ZINC000091906819 559074557 /nfs/dbraw/zinc/07/45/57/559074557.db2.gz YNIHODFXYULJNQ-OAHLLOKOSA-N 0 1 401.470 4.309 50 0 HIAAMN [O-][C@]1(C(F)(F)F)C2=C([NH2+]N1c1nc(-c3ccccc3)cs1)c1ccccc1OC2 ZINC000016957628 559087471 /nfs/dbraw/zinc/08/74/71/559087471.db2.gz KVBFPHMJXQRWSE-KUHUBIRLSA-N 0 1 417.412 4.294 50 0 HIAAMN COc1ccc(NC(=O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000096317092 559109745 /nfs/dbraw/zinc/10/97/45/559109745.db2.gz XRVSUJYXGYNEOF-UHFFFAOYSA-N 0 1 415.537 4.041 50 0 HIAAMN Cc1ccc(C(=O)NCc2ccc(F)cc2)c(C2CCN(Cc3ccccn3)CC2)n1 ZINC000037553932 559176289 /nfs/dbraw/zinc/17/62/89/559176289.db2.gz QNMORJPEYWCIQG-UHFFFAOYSA-N 0 1 418.516 4.234 50 0 HIAAMN CN(C)CCN(C(=O)c1cccs1)c1nc2ccc(Br)cc2s1 ZINC000005115345 559247317 /nfs/dbraw/zinc/24/73/17/559247317.db2.gz ICTXAJBCWQUVRB-UHFFFAOYSA-N 0 1 410.362 4.329 50 0 HIAAMN O=S(=O)(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccccc1Cl ZINC000005121186 559247863 /nfs/dbraw/zinc/24/78/63/559247863.db2.gz ZTQZBPNMUGOSCQ-UHFFFAOYSA-N 0 1 402.907 4.126 50 0 HIAAMN CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1OC[C@H](O)CN1CCN(c2cccc(Cl)c2)CC1 ZINC000033889650 559289040 /nfs/dbraw/zinc/28/90/40/559289040.db2.gz XYHSURUPEXRGRV-UOAUAQBLSA-N 0 1 406.998 4.054 50 0 HIAAMN COc1ccc(Cl)c2sc(N(CCN(C)C)C(=O)Cc3ccccc3)nc21 ZINC000005256913 560550867 /nfs/dbraw/zinc/55/08/67/560550867.db2.gz YUHPWGMBTKQUNE-UHFFFAOYSA-N 0 1 403.935 4.096 50 0 HIAAMN O=C1c2n[nH]c(-c3ccccc3O)c2[C@@H](c2ccc(O)cc2)N1Cc1ccc(F)cc1 ZINC000005343876 560566946 /nfs/dbraw/zinc/56/69/46/560566946.db2.gz USJYQFWDLRJLAZ-HSZRJFAPSA-N 0 1 415.424 4.372 50 0 HIAAMN Cc1[nH]c(S[C@@H](C(=O)N2CCOCC2)c2ccccc2)nc1Cc1ccccc1 ZINC000017704200 560723695 /nfs/dbraw/zinc/72/36/95/560723695.db2.gz KRDLJGAGDSJHFK-OAQYLSRUSA-N 0 1 407.539 4.001 50 0 HIAAMN Cc1ccc(Cl)cc1NC(=S)N(CCCN1CCN(C)CC1)Cc1ccco1 ZINC000101214246 560790006 /nfs/dbraw/zinc/79/00/06/560790006.db2.gz OWVKBIFKILQQBD-UHFFFAOYSA-N 0 1 421.010 4.078 50 0 HIAAMN Cc1ccc(-n2nc3c4cc(C(=O)Nc5ccc(O)cc5)ccc4[nH]cc-3c2=O)cc1 ZINC000101828158 560802690 /nfs/dbraw/zinc/80/26/90/560802690.db2.gz YSQRLGKTCJNBSX-UHFFFAOYSA-N 0 1 410.433 4.085 50 0 HIAAMN CCOc1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2ON1c1ccccc1 ZINC000102741493 560823694 /nfs/dbraw/zinc/82/36/94/560823694.db2.gz HEPOAYPHPZOHIU-DNVJHFABSA-N 0 1 414.461 4.136 50 0 aggregator HIAAMN Cc1ccccc1N1O[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@@H]1c1ccco1 ZINC000102863201 560832314 /nfs/dbraw/zinc/83/23/14/560832314.db2.gz BVTUXBLUJIFZQU-AABGKKOBSA-N 0 1 408.841 4.293 50 0 HIAAMN COc1cc(OC)c(NS(=O)(=O)c2ccc(Br)c(C)c2)cc1Cl ZINC000016095792 560858322 /nfs/dbraw/zinc/85/83/22/560858322.db2.gz XVTBMJNLYZKLJV-UHFFFAOYSA-N 0 1 420.712 4.229 50 0 HIAAMN CCCN(Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000107052500 560895017 /nfs/dbraw/zinc/89/50/17/560895017.db2.gz ZEBNWDZUHSRAOK-QZTJIDSGSA-N 0 1 415.603 4.423 50 0 HIAAMN COC(=O)CCN(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C1CCCC1 ZINC000048369006 568442283 /nfs/dbraw/zinc/44/22/83/568442283.db2.gz IQRYEIOUCYLLKS-UHFFFAOYSA-N 0 1 406.832 4.105 50 0 HIAAMN COc1cccc(C(=O)N(CCN(C)C)c2nc3cc(C)c(C)cc3s2)c1OC ZINC000005152631 568454483 /nfs/dbraw/zinc/45/44/83/568454483.db2.gz YZJCEBWGSQMHEN-UHFFFAOYSA-N 0 1 413.543 4.139 50 0 HIAAMN O=S(=O)(Nc1cccc(Cn2cccn2)c1)c1cc(C(F)(F)F)ccc1Cl ZINC000031722533 568504821 /nfs/dbraw/zinc/50/48/21/568504821.db2.gz UTGWKQNKRPUDJL-UHFFFAOYSA-N 0 1 415.824 4.404 50 0 HIAAMN COc1ccccc1/C=C1/CCCC2=C1N=C1N=CNN1[C@@H]2c1ccccc1OC ZINC000038163299 568569944 /nfs/dbraw/zinc/56/99/44/568569944.db2.gz SRWZYMHWNVOURR-VOJYKXCQSA-N 0 1 400.482 4.485 50 0 HIAAMN CCOC(=O)N1CCN(c2nc3ccc(C)cc3cc2CNCc2cccs2)CC1 ZINC000014980580 568581222 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Clc1ccc(Cn2nc(CNCCOc3ccccn3)c(-c3ccccc3)n2)cc1 ZINC000261491694 568820196 /nfs/dbraw/zinc/82/01/96/568820196.db2.gz CYTUKTYKZGACGL-UHFFFAOYSA-N 0 1 419.916 4.210 50 0 HIAAMN O=C(NCc1cccs1)C1CCC(Cn2c(=O)c3ccccc3[nH]c2=S)CC1 ZINC000002975760 568832495 /nfs/dbraw/zinc/83/24/95/568832495.db2.gz WAFUELIWIROVOA-UHFFFAOYSA-N 0 1 413.568 4.243 50 0 HIAAMN COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)n1 ZINC000012533665 568844723 /nfs/dbraw/zinc/84/47/23/568844723.db2.gz ASKVJGAXZSEZBQ-SLEUVZQESA-N 0 1 408.955 4.167 50 0 HIAAMN O=c1[nH]c2ccc(S(=O)(=O)Nc3ccccc3Oc3ccccc3Cl)cc2o1 ZINC000012541938 568848745 /nfs/dbraw/zinc/84/87/45/568848745.db2.gz QSPRTJGILPAYQS-UHFFFAOYSA-N 0 1 416.842 4.368 50 0 HIAAMN COc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000012548602 568851559 /nfs/dbraw/zinc/85/15/59/568851559.db2.gz TZTRNJSSCYPWMO-KRWDZBQOSA-N 0 1 424.522 4.295 50 0 HIAAMN O=C1CCCN1c1cccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c1 ZINC000012552469 568854410 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COc1ccc(S(=O)(=O)Nc2ccc(CCc3nc4ccc(C)cc4[nH]3)cc2)cc1 ZINC000015870681 569017445 /nfs/dbraw/zinc/01/74/45/569017445.db2.gz LSXDQPYBXMGEEE-UHFFFAOYSA-N 0 1 421.522 4.466 50 0 HIAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1cccc(C)c1)C(c1ccccc1)=N2 ZINC000035372517 569033852 /nfs/dbraw/zinc/03/38/52/569033852.db2.gz PXTHVRGXRQUVLW-UHFFFAOYSA-N 0 1 420.582 4.380 50 0 HIAAMN Cc1cccc(NC(=O)Nc2ccc(CN3CCN(c4ccccn4)CC3)cc2)c1 ZINC000035598051 569045775 /nfs/dbraw/zinc/04/57/75/569045775.db2.gz NDEAFDCOVYYNFG-UHFFFAOYSA-N 0 1 401.514 4.356 50 0 HIAAMN COc1ccc(NC(=O)Nc2ccc(CN3CCN(c4ccccn4)CC3)cc2)cc1 ZINC000035598050 569045813 /nfs/dbraw/zinc/04/58/13/569045813.db2.gz FMGSVWJJTMXKPB-UHFFFAOYSA-N 0 1 417.513 4.056 50 0 HIAAMN CC(C)[N@@H+](Cc1ccc(NC(=O)NCC(C)(C)C[C@H](C)O)cc1)C[C@H]1CCCCO1 ZINC000241837544 569054856 /nfs/dbraw/zinc/05/48/56/569054856.db2.gz SKYWECYRVLCIIV-SIKLNZKXSA-N 0 1 419.610 4.385 50 0 HIAAMN COc1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(=O)Nc2ccc(C)cc2)cc1 ZINC000245311906 569055769 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HIAAMN O=C1c2n[nH]c(-c3ccccc3O)c2[C@H](c2ccc(F)cc2)N1Cc1ccncc1 ZINC000006744703 569107598 /nfs/dbraw/zinc/10/75/98/569107598.db2.gz XQIQNFUXKKQBSM-QFIPXVFZSA-N 0 1 400.413 4.062 50 0 HIAAMN CCOCCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@H]1c1ccc(SC)cc1 ZINC000006745007 569107609 /nfs/dbraw/zinc/10/76/09/569107609.db2.gz SIWJMWKALYREAZ-JOCHJYFZSA-N 0 1 423.538 4.476 50 0 HIAAMN COc1cccc([C@@H]2c3c(n[nH]c3-c3cc(C)ccc3O)C(=O)N2Cc2ccco2)c1 ZINC000006753257 569110701 /nfs/dbraw/zinc/11/07/01/569110701.db2.gz KEEBSPXQSKRVGS-HSZRJFAPSA-N 0 1 415.449 4.438 50 0 HIAAMN CCCOc1cccc([C@H]2c3c(n[nH]c3-c3cc(C)ccc3O)C(=O)N2CCOC)c1 ZINC000006753230 569111804 /nfs/dbraw/zinc/11/18/04/569111804.db2.gz OYHJCLDSTQJCMZ-QHCPKHFHSA-N 0 1 421.497 4.071 50 0 HIAAMN Cc1ccccc1C1=NO[C@H](CN(Cc2ccccc2)C[C@@H](O)COCC(C)C)C1 ZINC000169677807 569125300 /nfs/dbraw/zinc/12/53/00/569125300.db2.gz YRCHGKSTGZSKFU-PKTZIBPZSA-N 0 1 410.558 4.024 50 0 HIAAMN COc1cccc(C2=NN(C(=O)CN3CCC(C)CC3)[C@H](c3ccccc3OC)C2)c1 ZINC000036341447 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c1ccc(CN2CCN(c3nc4ccccc4c4nc(-c5ccccc5)nn43)CC2)cc1 ZINC000058062453 558897475 /nfs/dbraw/zinc/89/74/75/558897475.db2.gz QOUPHGUIRHZAJC-UHFFFAOYSA-N 0 1 420.520 4.267 50 0 HIAAMN CCOC(=O)[C@]1(Cc2cccc(Cl)c2)CCCN(Cc2cnc(SC)nc2)C1 ZINC000077375220 559002607 /nfs/dbraw/zinc/00/26/07/559002607.db2.gz PWDPXRMIFYUDJB-NRFANRHFSA-N 0 1 419.978 4.240 50 0 HIAAMN Cc1ccc(S(=O)(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccccc2)cc1 ZINC000023119182 559013559 /nfs/dbraw/zinc/01/35/59/559013559.db2.gz LCWYTBASGRMNIG-FQEVSTJZSA-N 0 1 423.465 4.466 50 0 HIAAMN Cc1ccc(S(=O)(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000023119087 559013589 /nfs/dbraw/zinc/01/35/89/559013589.db2.gz YGVMPZUPCQYTOZ-HXUWFJFHSA-N 0 1 423.465 4.466 50 0 HIAAMN O=C(c1ccccc1CN1CCC2(CC1)OCCO2)c1ccccc1C(F)(F)F ZINC000085651590 559057264 /nfs/dbraw/zinc/05/72/64/559057264.db2.gz XHEJIUAXSNMSRU-UHFFFAOYSA-N 0 1 405.416 4.275 50 0 HIAAMN CN(C)CCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1cccc(Cl)c1 ZINC000011614670 559114484 /nfs/dbraw/zinc/11/44/84/559114484.db2.gz DCJNZLPWSGTQTE-GOSISDBHSA-N 0 1 417.292 4.207 50 0 HIAAMN CCCN(C(=O)Nc1ccccc1N1CCN(CC)CC1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000072305985 559146898 /nfs/dbraw/zinc/14/68/98/559146898.db2.gz KCTUDDRADGFOCX-FGZHOGPDSA-N 0 1 416.610 4.276 50 0 HIAAMN COc1ccc(N2O[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3[C@H]2c2ccccc2)cc1 ZINC000004937672 559211081 /nfs/dbraw/zinc/21/10/81/559211081.db2.gz GKSKCRIAZYSLAD-ZRBLBEILSA-N 0 1 414.461 4.055 50 0 HIAAMN O=C1c2n[nH]c(-c3ccccc3O)c2[C@@H](c2ccc(Cl)cc2)N1C[C@@H]1CCCO1 ZINC000005343805 560566803 /nfs/dbraw/zinc/56/68/03/560566803.db2.gz QDFNCLMYRCVKGO-YCRPNKLZSA-N 0 1 409.873 4.160 50 0 HIAAMN COc1cccc2sc(N(CCN(C)C)C(=O)c3ccc4ncsc4c3)nc21 ZINC000005115577 560623486 /nfs/dbraw/zinc/62/34/86/560623486.db2.gz NKRCQHRLHFEVSA-UHFFFAOYSA-N 0 1 412.540 4.123 50 0 HIAAMN COc1ccc(NC(=O)C2CC2)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000005601875 560629170 /nfs/dbraw/zinc/62/91/70/560629170.db2.gz ACPFMHBHDDYRQA-UHFFFAOYSA-N 0 1 415.298 4.151 50 0 HIAAMN COc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000017747376 560725379 /nfs/dbraw/zinc/72/53/79/560725379.db2.gz KKYZGWYOTCYEST-ZLNRFVROSA-N 0 1 414.461 4.055 50 0 HIAAMN COc1ccc(Br)cc1CN(C)C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000017957807 560731278 /nfs/dbraw/zinc/73/12/78/560731278.db2.gz WALVCKNKHMIFBS-UHFFFAOYSA-N 0 1 400.276 4.120 50 0 HIAAMN Cc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3cccc(F)c3)C(=O)[C@H]2ON1c1ccccc1 ZINC000101234375 560789480 /nfs/dbraw/zinc/78/94/80/560789480.db2.gz VKESDKZNHVDEML-BDTNDASRSA-N 0 1 402.425 4.185 50 0 HIAAMN O=C(Nc1cccc(F)c1)c1ccc2[nH]cc3c(=O)n(-c4ccc(F)cc4)nc-3c2c1 ZINC000101828848 560802759 /nfs/dbraw/zinc/80/27/59/560802759.db2.gz UQEPNKDPXCUHJB-UHFFFAOYSA-N 0 1 416.387 4.349 50 0 HIAAMN CC[C@@H](C)N(C)C(=O)c1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[nH]c1=O ZINC000215526018 568461072 /nfs/dbraw/zinc/46/10/72/568461072.db2.gz AIFFHZVOXSTCHQ-SECBINFHSA-N 0 1 421.341 4.345 50 0 HIAAMN O=C(CSc1nc(-c2ccncc2)n[nH]1)Nc1ccccc1Oc1ccccc1 ZINC000008428825 568501334 /nfs/dbraw/zinc/50/13/34/568501334.db2.gz BCFDQSYKAYILAK-UHFFFAOYSA-N 0 1 403.467 4.390 50 0 HIAAMN CCOc1ccc(C(=O)Nc2ccc3nc(N4CCN(CC)CC4)cc(C)c3c2)cc1 ZINC000020108660 568588513 /nfs/dbraw/zinc/58/85/13/568588513.db2.gz VWUPFHKUHIFYQK-UHFFFAOYSA-N 0 1 418.541 4.336 50 0 HIAAMN CCN1CCN(c2cc(C)c3cc(NC(=S)N4CCCC[C@@H]4C)ccc3n2)CC1 ZINC000020153504 568590896 /nfs/dbraw/zinc/59/08/96/568590896.db2.gz JQIDGATUMQFYFX-SFHVURJKSA-N 0 1 411.619 4.256 50 0 HIAAMN Cc1ccc(C(=O)N2C(=S)C(c3ccc(Cl)cc3)=NC23CCN(C)CC3)cc1 ZINC000020436087 568607248 /nfs/dbraw/zinc/60/72/48/568607248.db2.gz FGUCLSWHWAXSCP-UHFFFAOYSA-N 0 1 411.958 4.343 50 0 HIAAMN CC(C)N1CCC2(CC1)N=C(SCC(=O)Nc1ccccc1)C(c1ccccc1)=N2 ZINC000020436158 568607255 /nfs/dbraw/zinc/60/72/55/568607255.db2.gz UJGLZNNOZCVJSP-UHFFFAOYSA-N 0 1 420.582 4.460 50 0 HIAAMN c1ccc(-c2nc([C@@H]3CCCN3c3nc(-c4ccccn4)nc4c3CCC4)n[nH]2)cc1 ZINC000095443222 568611115 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0 HIAAMN CCOC(=O)c1cc(NC(=O)c2ccc(CN3CCSCC3)cc2)c(F)cc1C ZINC000241231246 568731041 /nfs/dbraw/zinc/73/10/41/568731041.db2.gz KTHUVEIWCLUBDE-UHFFFAOYSA-N 0 1 416.518 4.112 50 0 HIAAMN Cc1[nH]c(-c2nnc(C3CCC3)o2)c(C)c1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000096379513 568741020 /nfs/dbraw/zinc/74/10/20/568741020.db2.gz PWSVPJNYCDILAS-UHFFFAOYSA-N 0 1 406.895 4.403 50 0 HIAAMN CSc1ccc(NS(=O)(=O)c2c(C)[nH]c(C)c2-c2nnc(C3CC3)o2)cc1 ZINC000096379672 568741372 /nfs/dbraw/zinc/74/13/72/568741372.db2.gz CBMDVVJJZXRGRU-UHFFFAOYSA-N 0 1 404.517 4.082 50 0 HIAAMN Cc1ccccc1Cn1nc(C[NH2+]Cc2ccc(C(=O)[O-])cc2)c(-c2ccccc2)n1 ZINC000248164218 568747878 /nfs/dbraw/zinc/74/78/78/568747878.db2.gz QNMJACSLJWSKFG-UHFFFAOYSA-N 0 1 412.493 4.290 50 0 HIAAMN O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1C[N@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC000230018128 568801801 /nfs/dbraw/zinc/80/18/01/568801801.db2.gz BZSOVIRLFSQJNR-SIKLNZKXSA-N 0 1 403.526 4.094 50 0 HIAAMN O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CN1CCC[C@@H]2CCCC[C@H]21 ZINC000230018128 568801802 /nfs/dbraw/zinc/80/18/02/568801802.db2.gz BZSOVIRLFSQJNR-SIKLNZKXSA-N 0 1 403.526 4.094 50 0 HIAAMN CN(C)C(=O)c1cc(NC(=O)c2cc(-c3cccc(Cl)c3)n[nH]2)ccc1Cl ZINC000057145340 568824477 /nfs/dbraw/zinc/82/44/77/568824477.db2.gz ZUVFZPNWKLDCCR-UHFFFAOYSA-N 0 1 403.269 4.338 50 0 HIAAMN C[C@@H]1C[C@H](C)CN(C(=O)C2CCC(Cn3c(=O)c4ccccc4[nH]c3=S)CC2)C1 ZINC000002972114 568832091 /nfs/dbraw/zinc/83/20/91/568832091.db2.gz LSWNFIYKCYVERM-OQSMONGASA-N 0 1 413.587 4.370 50 0 HIAAMN COc1ccc(-c2cc(C(=O)Nc3ccc(C)cc3Br)[nH]n2)c(OC)c1 ZINC000057413074 568833272 /nfs/dbraw/zinc/83/32/72/568833272.db2.gz KXQFTIZRTBTBDT-UHFFFAOYSA-N 0 1 416.275 4.417 50 0 HIAAMN CC(C)CN1CCN(Cc2nc(-c3ccc(OCc4ccccc4)cc3)no2)CC1 ZINC000057427867 568835892 /nfs/dbraw/zinc/83/58/92/568835892.db2.gz NIAUJXSJTSJESE-UHFFFAOYSA-N 0 1 406.530 4.089 50 0 HIAAMN COc1ccc(NC(=O)c2ccccc2NC(=O)CN[C@H](C)c2ccccc2)cc1 ZINC000057568083 568854067 /nfs/dbraw/zinc/85/40/67/568854067.db2.gz ONMLBYSHJDAXBN-QGZVFWFLSA-N 0 1 403.482 4.237 50 0 HIAAMN Nc1cc(N)nc(SCC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)n1 ZINC000003605642 568863874 /nfs/dbraw/zinc/86/38/74/568863874.db2.gz UBLUEUABDPLFFG-UHFFFAOYSA-N 0 1 417.947 4.176 50 0 HIAAMN COc1ccc([C@H](CNC(=O)c2ccc(-n3nc(C)cc3C)cc2)N2CCCC2)cc1 ZINC000003414387 568898875 /nfs/dbraw/zinc/89/88/75/568898875.db2.gz USTUSJNQXMDPNX-DEOSSOPVSA-N 0 1 418.541 4.065 50 0 HIAAMN COc1ccc([C@@H](CNC(=O)c2ccc(-n3nc(C)cc3C)cc2)N2CCCC2)cc1 ZINC000003414392 568898941 /nfs/dbraw/zinc/89/89/41/568898941.db2.gz USTUSJNQXMDPNX-XMMPIXPASA-N 0 1 418.541 4.065 50 0 HIAAMN COc1ccc([C@H](CNC(=O)c2cccc(Br)c2)N2CCCC2)cc1 ZINC000003422562 568900158 /nfs/dbraw/zinc/90/01/58/568900158.db2.gz RGDNNHVBAWSEKK-IBGZPJMESA-N 0 1 403.320 4.025 50 0 HIAAMN O=C(COc1ccc(Cl)cc1)N(c1ccc(Cl)cc1)[C@@H]1CN2CCC1CC2 ZINC000001269932 568909499 /nfs/dbraw/zinc/90/94/99/568909499.db2.gz IHJOTHJKHOYPAW-HXUWFJFHSA-N 0 1 405.325 4.500 50 0 HIAAMN Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC(C(=O)NCc2cccnc2)CC1 ZINC000004057455 568936764 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HIAAMN COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1 ZINC000006623363 569075116 /nfs/dbraw/zinc/07/51/16/569075116.db2.gz YHEFKKITCCMTJG-UHFFFAOYSA-N 0 1 415.446 4.279 50 0 HIAAMN CCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)Nc1cccc(OC)c1 ZINC000064670110 569079047 /nfs/dbraw/zinc/07/90/47/569079047.db2.gz JVIGBPOTDLKRER-UHFFFAOYSA-N 0 1 404.513 4.327 50 0 HIAAMN Cc1ccccc1OC[C@@H](O)CN(Cc1cccs1)Cc1ccc2c(c1)OCO2 ZINC000036103486 569092100 /nfs/dbraw/zinc/09/21/00/569092100.db2.gz JHAXHMIDUVXTQT-IBGZPJMESA-N 0 1 411.523 4.227 50 0 HIAAMN COc1ccc(NS(=O)(=O)c2c(C)sc(C)c2-c2cc(C)no2)cc1OC ZINC000064845303 569108098 /nfs/dbraw/zinc/10/80/98/569108098.db2.gz GRYHDISBKKDFNT-UHFFFAOYSA-N 0 1 408.501 4.146 50 0 HIAAMN CC(=O)Nc1ccc(NS(=O)(=O)c2c(C)sc(C)c2-c2onc(C)c2C)cc1 ZINC000064845884 569108222 /nfs/dbraw/zinc/10/82/22/569108222.db2.gz FQPMGOVSEIQLBN-UHFFFAOYSA-N 0 1 419.528 4.396 50 0 HIAAMN CCCOc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCCOC)cc1 ZINC000006752848 569111542 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/nfs/dbraw/zinc/40/39/94/569403994.db2.gz BCIBRPCFNISSEL-VNDWYCCKSA-N 0 1 410.499 4.070 50 0 HIAAMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)CCC3)c1 ZINC000008725737 571108292 /nfs/dbraw/zinc/10/82/92/571108292.db2.gz GESJYONCCIQZJK-UHFFFAOYSA-N 0 1 422.506 4.237 50 0 HIAAMN COc1ccc([C@H](CNC(=O)COc2ccc(Cl)cc2C)N2CCCCC2)cc1 ZINC000008867647 571129416 /nfs/dbraw/zinc/12/94/16/571129416.db2.gz GONPFYRIGJOQIL-NRFANRHFSA-N 0 1 416.949 4.379 50 0 HIAAMN COc1cc(Cl)c(NS(=O)(=O)c2ccc(-c3cc(C)no3)s2)c(OC)c1 ZINC000009269000 571244187 /nfs/dbraw/zinc/24/41/87/571244187.db2.gz AROWLPOXIILECL-UHFFFAOYSA-N 0 1 414.892 4.183 50 0 HIAAMN Cc1c(C(=O)N2CCCCCC2)c(S(=O)(=O)Nc2ccc(C)cc2C)c(C)n1C ZINC000009685333 571279840 /nfs/dbraw/zinc/27/98/40/571279840.db2.gz WUBGKNXQZSIRIR-UHFFFAOYSA-N 0 1 417.575 4.076 50 0 HIAAMN Cc1ccccc1OCC(=O)Nc1ccc2c(c1)nc(CN1CCCCCC1)n2C ZINC000009942304 571291197 /nfs/dbraw/zinc/29/11/97/571291197.db2.gz ZYMUYHQOJKHPGM-UHFFFAOYSA-N 0 1 406.530 4.275 50 0 HIAAMN CCn1c(CN2CCCCCC2)nc2cc(NC(=O)COc3ccccc3)ccc21 ZINC000009958797 571291779 /nfs/dbraw/zinc/29/17/79/571291779.db2.gz JQTBIJGCPLLGLO-UHFFFAOYSA-N 0 1 406.530 4.450 50 0 HIAAMN Fc1ccc(C=Cc2n[nH]c(SCCCc3nc(-c4cccnc4)no3)n2)cc1 ZINC000010574729 845675556 /nfs/dbraw/zinc/67/55/56/845675556.db2.gz NFVTVIHXDPHRNO-JXMROGBWSA-N 0 1 408.462 4.284 50 0 HIAAMN CC(C)c1cc(CN2CCC(n3nccc3NC(=O)CCc3ccccc3)CC2)n[nH]1 ZINC000012306106 845867198 /nfs/dbraw/zinc/86/71/98/845867198.db2.gz MZZACFIAEUVVDW-UHFFFAOYSA-N 0 1 420.561 4.138 50 0 HIAAMN CCCn1ncc(CN2CCC[C@](Cc3ccccc3F)(C(=O)OCC)C2)c1C ZINC000012476277 845874402 /nfs/dbraw/zinc/87/44/02/845874402.db2.gz MOEABHZUVNVTAE-HSZRJFAPSA-N 0 1 401.526 4.129 50 0 HIAAMN CCCn1ncc(CN2CCC[C@@](Cc3ccccc3F)(C(=O)OCC)C2)c1C ZINC000012476273 845874699 /nfs/dbraw/zinc/87/46/99/845874699.db2.gz MOEABHZUVNVTAE-QHCPKHFHSA-N 0 1 401.526 4.129 50 0 HIAAMN Cc1nc(C(=O)NC[C@H](C)Oc2cccc(CN(C)Cc3cccs3)c2)cs1 ZINC000055108855 849972392 /nfs/dbraw/zinc/97/23/92/849972392.db2.gz 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Cc1cc(OC[C@H](O)CN2CCN(c3cccc(Cl)c3)CC2)ccc1C(C)C ZINC000020109763 558335070 /nfs/dbraw/zinc/33/50/70/558335070.db2.gz NEZIBQQKSDUWAM-OAQYLSRUSA-N 0 1 402.966 4.334 50 0 HIAAMN CN(C)c1cccc(C(=O)N2CCC(c3[nH]ncc3CCc3ccccc3)CC2)c1 ZINC000012246310 558361738 /nfs/dbraw/zinc/36/17/38/558361738.db2.gz FHBMUUNTDFGKIA-UHFFFAOYSA-N 0 1 402.542 4.281 50 0 HIAAMN Cc1ccc(OC2CCN(Cc3ccncc3)CC2)c(C(=O)N2CCCCCC2)c1 ZINC000012305890 558374738 /nfs/dbraw/zinc/37/47/38/558374738.db2.gz VLNUWCFJVNARGK-UHFFFAOYSA-N 0 1 407.558 4.450 50 0 HIAAMN CC[C@H](NC(=O)c1cn(C/C=C/c2ccccc2)nn1)c1nc2ccc(C)cc2[nH]1 ZINC000012433766 558407570 /nfs/dbraw/zinc/40/75/70/558407570.db2.gz UJHJGMPFBKMTCT-HKMNZKMDSA-N 0 1 400.486 4.057 50 0 HIAAMN COc1ccc(-c2n[nH]cc2CN2CCC(Oc3ccccc3F)CC2)c(OC)c1 ZINC000012446386 558414269 /nfs/dbraw/zinc/41/42/69/558414269.db2.gz HFOVCVINWCTJBK-UHFFFAOYSA-N 0 1 411.477 4.276 50 0 HIAAMN Cc1ncc(CN2CCC[C@@H]2C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)[nH]1 ZINC000012446714 558414384 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50 0 HIAAMN COc1ccc(NS(=O)(=O)c2cc(-c3cnc(C)o3)ccc2OC)cc1Cl ZINC000021033272 568659503 /nfs/dbraw/zinc/65/95/03/568659503.db2.gz OKPLAUURXDFFPF-UHFFFAOYSA-N 0 1 408.863 4.121 50 0 HIAAMN O=C(NCC1CCN(Cc2ccc(Cl)cc2)CC1)Nc1ccc2c(c1)OCO2 ZINC000021174854 568676952 /nfs/dbraw/zinc/67/69/52/568676952.db2.gz RNJGJUUGRVREQX-UHFFFAOYSA-N 0 1 401.894 4.102 50 0 HIAAMN CC[C@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)c1nnc2ccccc2c1O ZINC000096012092 568684555 /nfs/dbraw/zinc/68/45/55/568684555.db2.gz HNFMOAHEGAJUFB-SFHVURJKSA-N 0 1 416.525 4.285 50 0 HIAAMN Cc1ccc(C2=NN(C(=O)CN[C@H](c3cccnc3)C3CC3)[C@H](c3ccco3)C2)cc1 ZINC000096012834 568685193 /nfs/dbraw/zinc/68/51/93/568685193.db2.gz PJUBRVCJUUJDIC-DHLKQENFSA-N 0 1 414.509 4.402 50 0 HIAAMN O=C([C@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N1CCCCC1 ZINC000247867729 568745840 /nfs/dbraw/zinc/74/58/40/568745840.db2.gz PHJXUZBKCIBVRC-IBGZPJMESA-N 0 1 420.532 4.389 50 0 HIAAMN CC(C)N(C)C(=O)[C@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(F)cc2)C1 ZINC000247950700 568746102 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HIAAMN C[C@H](NC(=O)CSc1nc(-c2ccccc2Br)n[nH]1)c1ccccc1 ZINC000002624027 568788636 /nfs/dbraw/zinc/78/86/36/568788636.db2.gz VBNSRNKGUNISBH-LBPRGKRZSA-N 0 1 417.332 4.204 50 0 HIAAMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N(C)C2CCC(C)CC2)c1 ZINC000012536126 568845485 /nfs/dbraw/zinc/84/54/85/568845485.db2.gz YXWUQWGLFMVUBJ-UHFFFAOYSA-N 0 1 416.543 4.147 50 0 HIAAMN COc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000012548603 568851713 /nfs/dbraw/zinc/85/17/13/568851713.db2.gz TZTRNJSSCYPWMO-QGZVFWFLSA-N 0 1 424.522 4.295 50 0 HIAAMN CC(=O)N1CCCN(Cc2cn(-c3cc(C)ccc3C)nc2-c2ccccc2)CC1 ZINC000012594163 568868647 /nfs/dbraw/zinc/86/86/47/568868647.db2.gz SZVUNSVDXXDZIZ-UHFFFAOYSA-N 0 1 402.542 4.210 50 0 HIAAMN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2nc3ccccc3[nH]2)cc1 ZINC000012603016 568870408 /nfs/dbraw/zinc/87/04/08/568870408.db2.gz DZMTXSRXRZGNTI-UHFFFAOYSA-N 0 1 409.449 4.098 50 0 HIAAMN C[C@@H](N[C@@H](C)c1ccc2c(c1)OCCO2)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000058160051 568894164 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Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000007989540 568966511 /nfs/dbraw/zinc/96/65/11/568966511.db2.gz CJQIAOUQRWFEBX-NRFANRHFSA-N 0 1 422.960 4.206 50 0 HIAAMN O=C(NC[C@H](c1ccco1)N1CCCC1)c1cc(-c2cccnc2)nc2ccccc21 ZINC000008229578 568983377 /nfs/dbraw/zinc/98/33/77/568983377.db2.gz JWLTZBTTXZODPX-HSZRJFAPSA-N 0 1 412.493 4.457 50 0 HIAAMN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000008388633 568996257 /nfs/dbraw/zinc/99/62/57/568996257.db2.gz GWSCDZFCAAIFIF-FQEVSTJZSA-N 0 1 407.518 4.050 50 0 HIAAMN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nc2ccc(Cl)cc2[nH]1 ZINC000008424959 569001994 /nfs/dbraw/zinc/00/19/94/569001994.db2.gz MHYAALOYCIESCM-LLVKDONJSA-N 0 1 400.891 4.072 50 0 HIAAMN CC(=O)c1ccc(-c2ccc(C(=O)N3CCCN(Cc4ccccc4)CC3)o2)cc1 ZINC000012899342 569020553 /nfs/dbraw/zinc/02/05/53/569020553.db2.gz YDMAVMVRBRGDLX-UHFFFAOYSA-N 0 1 402.494 4.497 50 0 HIAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1ccccc1)C(c1ccccc1)=N2 ZINC000035372482 569033860 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O[C@H](COCc1cccs1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000096682214 568764314 /nfs/dbraw/zinc/76/43/14/568764314.db2.gz MZJDAIBIDRZPFQ-QHCPKHFHSA-N 0 1 422.594 4.033 50 0 HIAAMN COc1ccc([C@H](CNC(=O)c2ccc(-c3nc(C)no3)cc2)N2CCCCC2)cc1 ZINC000025339950 568764817 /nfs/dbraw/zinc/76/48/17/568764817.db2.gz ZSVQQPHAHSLEGC-QFIPXVFZSA-N 0 1 420.513 4.011 50 0 HIAAMN COc1ccc([C@@H](CNC(=O)c2ccc(-c3nc(C)no3)cc2)N2CCCCC2)cc1 ZINC000025339946 568764862 /nfs/dbraw/zinc/76/48/62/568764862.db2.gz ZSVQQPHAHSLEGC-JOCHJYFZSA-N 0 1 420.513 4.011 50 0 HIAAMN O=S(=O)(c1ccc(SCc2nc3ccc(Cl)cc3[nH]2)nc1)N1CCCCC1 ZINC000096997093 568766076 /nfs/dbraw/zinc/76/60/76/568766076.db2.gz MYNCPPRNRLEOCS-UHFFFAOYSA-N 0 1 422.963 4.078 50 0 HIAAMN Cc1cc(NS(=O)(=O)c2ccccc2Br)ccc1Br ZINC000005884630 568828111 /nfs/dbraw/zinc/82/81/11/568828111.db2.gz KYDPAVVOBVYRQK-UHFFFAOYSA-N 0 1 405.111 4.321 50 0 HIAAMN COc1cccc(C(=O)COc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)c1 ZINC000005960574 568832467 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HIAAMN COc1cc(CCC(=O)N[C@@H](c2ccccc2)c2ccc3nc[nH]c3c2)cc(OC)c1 ZINC000012740918 568929037 /nfs/dbraw/zinc/92/90/37/568929037.db2.gz MSYVRNMQUOJEEL-VWLOTQADSA-N 0 1 415.493 4.419 50 0 HIAAMN O=S(=O)(Nc1cccc(Cn2cccn2)c1)c1ccc(Cl)cc1C(F)(F)F ZINC000031722502 568929926 /nfs/dbraw/zinc/92/99/26/568929926.db2.gz RNAXVMJUKNXWNQ-UHFFFAOYSA-N 0 1 415.824 4.404 50 0 HIAAMN COc1ccc(NC(=O)C[C@@H]2C=CCC2)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000008188164 568980873 /nfs/dbraw/zinc/98/08/73/568980873.db2.gz YLLLPWWGHRXUHK-CQSZACIVSA-N 0 1 420.918 4.444 50 0 HIAAMN CC(=O)c1ccc(-c2ccc([C@H]3NC(=S)N=C(C)C3C(=O)OC(C)(C)C)o2)cc1 ZINC000006053329 568988622 /nfs/dbraw/zinc/98/86/22/568988622.db2.gz FVMGPCCJVJIAHI-LJQANCHMSA-N 0 1 412.511 4.284 50 0 HIAAMN C[C@H]1CCc2sc3c(c2C1)c(=O)n(-c1ccc(Cl)cc1)c1nnc(S)n31 ZINC000006129894 569014074 /nfs/dbraw/zinc/01/40/74/569014074.db2.gz CHEZOGNWIQJSHO-VIFPVBQESA-N 0 1 402.932 4.162 50 0 HIAAMN CCOc1ccc([C@H](c2sc3nc(CC)nn3c2[O-])[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000016690056 569070579 /nfs/dbraw/zinc/07/05/79/569070579.db2.gz HQCYILUISPEGKZ-RDTXWAMCSA-N 0 1 400.548 4.279 50 0 HIAAMN COc1ccccc1[C@@H](C)NC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000054377971 569073449 /nfs/dbraw/zinc/07/34/49/569073449.db2.gz XYLKOSZJZBDLKR-MRXNPFEDSA-N 0 1 401.938 4.373 50 0 HIAAMN CCOCCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@@H]1c1ccc(SC)cc1 ZINC000006745013 569107601 /nfs/dbraw/zinc/10/76/01/569107601.db2.gz SIWJMWKALYREAZ-QFIPXVFZSA-N 0 1 423.538 4.476 50 0 HIAAMN Cc1sc2nc(CN(CCC(C)C)C[C@H](O)Cc3ccccc3)[nH]c(=O)c2c1C ZINC000036204766 569109732 /nfs/dbraw/zinc/10/97/32/569109732.db2.gz TXYSVEROIFWJCH-LJQANCHMSA-N 0 1 413.587 4.053 50 0 HIAAMN COc1cccc(C2=NN(C(=O)CN3CCCC[C@H]3C)[C@H](c3ccccc3F)C2)c1 ZINC000036341521 569141981 /nfs/dbraw/zinc/14/19/81/569141981.db2.gz FBNLNXKWUIVBNV-HXOBKFHXSA-N 0 1 409.505 4.386 50 0 HIAAMN COc1ccccc1[C@@H]1CC(c2ccc(F)cc2)=NN1C(=O)CN1CCC(C)CC1 ZINC000036341365 569142026 /nfs/dbraw/zinc/14/20/26/569142026.db2.gz SYOKZGQAOZUPEP-QFIPXVFZSA-N 0 1 409.505 4.244 50 0 HIAAMN COc1ccccc1C1=NN(C(=O)CN2CCC(C)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000036344829 569142855 /nfs/dbraw/zinc/14/28/55/569142855.db2.gz NJWWOBBSJBUUQH-JOCHJYFZSA-N 0 1 409.505 4.244 50 0 HIAAMN CN1CCN(c2ccccc2NC(=O)COc2ccccc2Cc2ccccc2)CC1 ZINC000007105846 569220199 /nfs/dbraw/zinc/22/01/99/569220199.db2.gz VYTYUPNVZTWRQF-UHFFFAOYSA-N 0 1 415.537 4.047 50 0 HIAAMN COc1ccc2nc(SCC(=O)N(Cc3ccco3)Cc3ccccc3)[nH]c2c1 ZINC000007240146 569230319 /nfs/dbraw/zinc/23/03/19/569230319.db2.gz MEBZFUNSJWNPCI-UHFFFAOYSA-N 0 1 407.495 4.486 50 0 HIAAMN C[C@H](Oc1ccc(C(=O)NC[C@H](c2ccco2)N2CCCC2)cn1)c1ccccc1 ZINC000065551483 569234980 /nfs/dbraw/zinc/23/49/80/569234980.db2.gz HUHDDNBMZOUJIA-GHTZIAJQSA-N 0 1 405.498 4.382 50 0 HIAAMN Cc1cccc2nc(CNC3(c4cccc(Br)c4)CCOCC3)cn21 ZINC000065604490 569237208 /nfs/dbraw/zinc/23/72/08/569237208.db2.gz PXYNFODNISBLCB-UHFFFAOYSA-N 0 1 400.320 4.201 50 0 HIAAMN CN1CCC2(CC1)N=C(c1ccc(F)cc1)C(=S)N2C(=O)c1ccc(Cl)cc1 ZINC000002715989 569322436 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HIAAMN Cc1ccc(N2C(=S)N=NC2c2cc(-c3ccco3)[nH]n2)c(Br)c1 ZINC000009110782 571222649 /nfs/dbraw/zinc/22/26/49/571222649.db2.gz ZPOMFEHBKFPZBT-UHFFFAOYSA-N 0 1 402.277 4.277 50 0 HIAAMN Cc1ccc2nc(SCC(=O)N3CCC[C@H]3c3ccc4c(c3)OCCO4)[nH]c2c1 ZINC000009606884 571273271 /nfs/dbraw/zinc/27/32/71/571273271.db2.gz PCUGOTAYEDQMQA-SFHVURJKSA-N 0 1 409.511 4.098 50 0 HIAAMN CCc1ccccc1NS(=O)(=O)c1c(C)n(C)c(C)c1C(=O)N1CCCCCC1 ZINC000009685293 571279874 /nfs/dbraw/zinc/27/98/74/571279874.db2.gz CGSAQVFACXRKHU-UHFFFAOYSA-N 0 1 417.575 4.021 50 0 HIAAMN Cc1c(C(=O)N2CCCCCC2)c(S(=O)(=O)Nc2cc(C)cc(C)c2)c(C)n1C ZINC000009685346 571279881 /nfs/dbraw/zinc/27/98/81/571279881.db2.gz KAUMZKBGMKFHRN-UHFFFAOYSA-N 0 1 417.575 4.076 50 0 HIAAMN CCCCc1nc2cc(C(=O)N3CCc4nc[nH]c4[C@@H]3c3cccnc3)ccc2o1 ZINC000011935801 845842000 /nfs/dbraw/zinc/84/20/00/845842000.db2.gz OUIOCCVZMXIHJZ-QFIPXVFZSA-N 0 1 401.470 4.076 50 0 HIAAMN COCCCn1c(C)cc(C(=O)CSc2nc(C=Cc3ccc(C)o3)n[nH]2)c1C ZINC000012841459 845894485 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C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000001116258 132237807 /nfs/dbraw/zinc/23/78/07/132237807.db2.gz CPDQMHWCVLERNY-CQSZACIVSA-N 0 1 408.329 4.151 50 0 HIAAMN CN1CCN(c2ccc(Cl)cc2NC(=O)COc2ccc3ccccc3c2)CC1 ZINC000006123992 132309244 /nfs/dbraw/zinc/30/92/44/132309244.db2.gz ZQHVLVKZCMUFML-UHFFFAOYSA-N 0 1 409.917 4.263 50 0 HIAAMN CCC(Nc1ccc([NH+](CC)CC)cc1)=C1C(=O)[N-]C(=O)N(c2ccccc2C)C1=O ZINC000008974301 132334403 /nfs/dbraw/zinc/33/44/03/132334403.db2.gz VHTRIXMEVPVUTH-XUTLUUPISA-N 0 1 420.513 4.200 50 0 HIAAMN Cc1ccc(OCc2ccc(C(=O)Nc3ccc(N4CCN(C)CC4)c(C)c3)o2)cc1 ZINC000012528014 132361926 /nfs/dbraw/zinc/36/19/26/132361926.db2.gz XRXXVMSEMLYRII-UHFFFAOYSA-N 0 1 419.525 4.480 50 0 HIAAMN CCc1ccc(NC(=O)c2cncc(NS(=O)(=O)c3ccc(Cl)cc3)c2)cc1 ZINC000020532752 523992342 /nfs/dbraw/zinc/99/23/42/523992342.db2.gz AXYPSXQCYOZBSZ-UHFFFAOYSA-N 0 1 415.902 4.351 50 0 HIAAMN COc1ccc(CNCc2cccc(OC)c2OCC(=O)Nc2ccc(C)cc2)cc1 ZINC000040734698 524073189 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CCOC(=O)C1C(c2ccccc2)=NC(=O)N[C@@H]1c1cc(Cl)cc(Cl)c1OC ZINC000000684007 557057742 /nfs/dbraw/zinc/05/77/42/557057742.db2.gz MDFAOSQQIXUPKB-QGZVFWFLSA-N 0 1 421.280 4.330 50 0 HIAAMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000001146454 557208176 /nfs/dbraw/zinc/20/81/76/557208176.db2.gz PVRINASXUIRUPL-UHFFFAOYSA-N 0 1 414.458 4.196 50 0 HIAAMN CCOC(=O)[C@](NC(=O)c1ccccc1)(Nc1ccccc1Cl)C(F)(F)F ZINC000002050627 557300957 /nfs/dbraw/zinc/30/09/57/557300957.db2.gz ZOMUBKIGHJJRLA-QGZVFWFLSA-N 0 1 400.784 4.004 50 0 HIAAMN CCOC(=O)[C@@](NC(=O)c1ccccc1)(Nc1ccccc1Cl)C(F)(F)F ZINC000002050628 557300964 /nfs/dbraw/zinc/30/09/64/557300964.db2.gz ZOMUBKIGHJJRLA-KRWDZBQOSA-N 0 1 400.784 4.004 50 0 HIAAMN CN(Cc1ccccc1)C(=O)[C@@H]1CCCN(Cc2cccc(Br)c2)C1 ZINC000002734442 557373660 /nfs/dbraw/zinc/37/36/60/557373660.db2.gz VCSLCFNVGCORAF-LJQANCHMSA-N 0 1 401.348 4.320 50 0 HIAAMN CC(=O)C1(c2ccccc2)CCN(Cc2cccc(C(=O)NCc3ccco3)c2)CC1 ZINC000034684964 557388305 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Cc1cc(C)c(O)c(-c2[nH]nc3c2[C@@H](c2cccc(O)c2)N(Cc2ccco2)C3=O)c1 ZINC000015952526 558763935 /nfs/dbraw/zinc/76/39/35/558763935.db2.gz JVHUOUBLPPAFBX-JOCHJYFZSA-N 0 1 415.449 4.443 50 0 HIAAMN O[C@H](COCc1ccc2c(c1)OCO2)C[N@H+]1CCc2sccc2[C@H]1c1ccccc1 ZINC000034675306 558782860 /nfs/dbraw/zinc/78/28/60/558782860.db2.gz BQWNDSDANVLCTC-YADARESESA-N 0 1 423.534 4.002 50 0 HIAAMN C[C@H](NCC(=O)N(Cc1ccco1)CC(F)(F)F)c1ccc(Br)cc1 ZINC000016695396 558800822 /nfs/dbraw/zinc/80/08/22/558800822.db2.gz AJTZSXLFNJESAI-LBPRGKRZSA-N 0 1 419.241 4.284 50 0 HIAAMN COc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NCc2ccccc2OCCO)cc1 ZINC000039442468 558821317 /nfs/dbraw/zinc/82/13/17/558821317.db2.gz GELAGDUHGNLDJG-JOCHJYFZSA-N 0 1 421.541 4.055 50 0 HIAAMN COc1ccc2cc(-c3n[nH]cc3CN3CCN(c4cccc(C)n4)CC3)ccc2c1 ZINC000019146495 558846760 /nfs/dbraw/zinc/84/67/60/558846760.db2.gz HKFQQAUPIJMYGI-UHFFFAOYSA-N 0 1 413.525 4.264 50 0 HIAAMN CCOc1ccccc1CNC(=O)[C@H]1CCCN(c2nc3ccc(Cl)cc3[nH]2)C1 ZINC000033071544 558866526 /nfs/dbraw/zinc/86/65/26/558866526.db2.gz LXFVSFIMBFGKKU-INIZCTEOSA-N 0 1 412.921 4.148 50 0 HIAAMN O=C(C1CCCC1)N1CCC[C@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000055089061 558871838 /nfs/dbraw/zinc/87/18/38/558871838.db2.gz HUKCJIJLLVYTMW-FQEVSTJZSA-N 0 1 409.496 4.009 50 0 HIAAMN CN(Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2)Cc1cccnc1 ZINC000055167442 558874785 /nfs/dbraw/zinc/87/47/85/558874785.db2.gz LYPSJSZROHHBFH-UHFFFAOYSA-N 0 1 412.493 4.354 50 0 HIAAMN COc1cc(NS(=O)(=O)c2cc(-c3nc(C)cs3)sc2C)cc(OC)c1 ZINC000033169442 558902736 /nfs/dbraw/zinc/90/27/36/558902736.db2.gz JRSWSCULHFKZNV-UHFFFAOYSA-N 0 1 410.542 4.306 50 0 HIAAMN CCCN1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)CC1 ZINC000058156846 558903078 /nfs/dbraw/zinc/90/30/78/558903078.db2.gz ZYDYQERHSODUNF-UHFFFAOYSA-N 0 1 408.933 4.361 50 0 HIAAMN Cc1ccc([C@H](CNC(=O)COc2ccc(Cl)c3cccnc23)N2CCCC2)o1 ZINC000058218157 558912856 /nfs/dbraw/zinc/91/28/56/558912856.db2.gz WVCDKZWXJVMYRN-SFHVURJKSA-N 0 1 413.905 4.122 50 0 HIAAMN C[C@@H](Sc1nc(C=Cc2ccc(F)cc2)n[nH]1)C(=O)Nc1cccnc1Cl ZINC000096942198 559014974 /nfs/dbraw/zinc/01/49/74/559014974.db2.gz NVGPHIBAJABZFS-DHHDDZJSSA-N 0 1 403.870 4.282 50 0 HIAAMN C[C@H](CN1CCN(C[C@H](c2ccc(F)cc2)N2CCCC2)CC1)C(=O)c1ccccc1 ZINC000095903314 559088789 /nfs/dbraw/zinc/08/87/89/559088789.db2.gz BHBWNYBKKMRJJJ-PXDATVDWSA-N 0 1 423.576 4.099 50 0 HIAAMN CCCN(CC)C(=O)c1cc(N2CCN(Cc3ccccc3)CC2)nc2ccccc21 ZINC000023321394 559126210 /nfs/dbraw/zinc/12/62/10/559126210.db2.gz OSHRJBNERBNLTL-UHFFFAOYSA-N 0 1 416.569 4.429 50 0 HIAAMN O=C1C2=C(c3ccccc3)NN(c3ccccc3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000100737090 559138839 /nfs/dbraw/zinc/13/88/39/559138839.db2.gz NIZSWNKIVADIJS-FPOVZHCZSA-N 0 1 401.853 4.123 50 0 HIAAMN COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)N2CCCC[C@H]2C)c1 ZINC000014252270 559162433 /nfs/dbraw/zinc/16/24/33/559162433.db2.gz NXZXBGBRYNPXMX-CQSZACIVSA-N 0 1 422.934 4.164 50 0 HIAAMN CN(CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)[C@@H]1CCCc2ccccc21 ZINC000023701907 559179288 /nfs/dbraw/zinc/17/92/88/559179288.db2.gz JDJSVWMSCLZVJH-FGZHOGPDSA-N 0 1 406.526 4.131 50 0 HIAAMN COc1cc(OC)c(C2=CCN(C(=O)c3cc(-c4ccccc4)[nH]n3)CC2)c(OC)c1 ZINC000011918899 559268220 /nfs/dbraw/zinc/26/82/20/559268220.db2.gz GFFNUSHWBSZUHJ-UHFFFAOYSA-N 0 1 419.481 4.032 50 0 HIAAMN COc1ccc([C@@H](CNC(=O)COc2ccc3ccccc3c2)N2CCCC2)cc1 ZINC000005262105 560552951 /nfs/dbraw/zinc/55/29/51/560552951.db2.gz ULHYPFSXGYVDGM-XMMPIXPASA-N 0 1 404.510 4.181 50 0 HIAAMN O=C1c2n[nH]c(-c3ccccc3O)c2[C@@H](c2ccc(Cl)cc2)N1C[C@H]1CCCO1 ZINC000005343807 560566795 /nfs/dbraw/zinc/56/67/95/560566795.db2.gz QDFNCLMYRCVKGO-QVKFZJNVSA-N 0 1 409.873 4.160 50 0 HIAAMN COc1ccc(-c2n[nH]c(S[C@H](C(=O)N3CCCCC3)c3ccccc3)n2)cc1 ZINC000005506000 560598856 /nfs/dbraw/zinc/59/88/56/560598856.db2.gz HLHJZZQYLPZSJJ-IBGZPJMESA-N 0 1 408.527 4.326 50 0 HIAAMN Cc1[nH]c(S[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)nc1Cc1ccccc1 ZINC000008707453 560637655 /nfs/dbraw/zinc/63/76/55/560637655.db2.gz KJXQCEBQRCHLAB-OAHLLOKOSA-N 0 1 409.511 4.199 50 0 HIAAMN CCN(CC)[C@H](CNC(=O)c1ccc(N2CCCC2=O)cc1)c1ccccc1Cl ZINC000017793905 560728342 /nfs/dbraw/zinc/72/83/42/560728342.db2.gz KTGBTZFVHKFYMW-OAQYLSRUSA-N 0 1 413.949 4.280 50 0 HIAAMN CN(C)[C@@H](CN/C=C1\c2ccccc2C(=O)N(c2ccccc2)C1=O)c1ccccc1 ZINC000101499869 560796494 /nfs/dbraw/zinc/79/64/94/560796494.db2.gz IZZZFFONUIQULV-ICBIFTLVSA-N 0 1 411.505 4.107 50 0 HIAAMN CC(C)OC[C@@H](O)CN(Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104982873 560858935 /nfs/dbraw/zinc/85/89/35/560858935.db2.gz YCOIQORDEYDQNG-FCHUYYIVSA-N 0 1 416.949 4.121 50 0 HIAAMN COc1cccc(CN(C[C@@H](O)c2ccccc2)C[C@H]2CC(c3ccccc3)=NO2)c1 ZINC000104984597 560859034 /nfs/dbraw/zinc/85/90/34/560859034.db2.gz PEQQXODKAOKJSP-AOYPEHQESA-N 0 1 416.521 4.424 50 0 HIAAMN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CN2CCCC[C@@H]2C)c(OC)c1 ZINC000105010781 560860251 /nfs/dbraw/zinc/86/02/51/560860251.db2.gz VHHOTAFBXIDPJK-FDDCHVKYSA-N 0 1 421.541 4.256 50 0 HIAAMN CCc1ccc(C(=O)[C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(F)cc2F)s1 ZINC000046057247 568426061 /nfs/dbraw/zinc/42/60/61/568426061.db2.gz CMIBCZSFOVAZMF-CYBMUJFWSA-N 0 1 401.438 4.392 50 0 HIAAMN CCc1ccc(C(=O)C2CC(=O)Nc3c2c(C)nn3-c2ccc(F)cc2F)s1 ZINC000046057247 568426062 /nfs/dbraw/zinc/42/60/62/568426062.db2.gz CMIBCZSFOVAZMF-CYBMUJFWSA-N 0 1 401.438 4.392 50 0 HIAAMN CCC[C@@H](NCC(=O)N(CC(=O)Nc1ccccc1)Cc1ccco1)c1ccccc1 ZINC000049592443 568452464 /nfs/dbraw/zinc/45/24/64/568452464.db2.gz OJZILYDPFGRXQW-HSZRJFAPSA-N 0 1 419.525 4.378 50 0 HIAAMN CSc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000006752777 568458549 /nfs/dbraw/zinc/45/85/49/568458549.db2.gz PUWCRCVDXXANIP-IVZQSRNASA-N 0 1 421.522 4.228 50 0 HIAAMN Cc1sc(-c2cc(C(F)(F)F)[nH]n2)cc1S(=O)(=O)Nc1cccc(F)c1 ZINC000033173803 568511719 /nfs/dbraw/zinc/51/17/19/568511719.db2.gz DBGPDOLPJZWQDT-UHFFFAOYSA-N 0 1 405.398 4.405 50 0 HIAAMN COc1ccc(CN(Cc2nc(-c3cccnc3)no2)C2CCCCC2)cc1OC ZINC000095397350 568604612 /nfs/dbraw/zinc/60/46/12/568604612.db2.gz JOGRWCIKYWATOO-UHFFFAOYSA-N 0 1 408.502 4.484 50 0 HIAAMN COc1ccc([C@@](O)(C(C)C)[C@@H](CN2CCOCC2)c2ccc(Cl)cc2)cc1 ZINC000020446957 568608470 /nfs/dbraw/zinc/60/84/70/568608470.db2.gz CZTTXQZGPVVVHN-GOTSBHOMSA-N 0 1 403.950 4.308 50 0 HIAAMN CCOc1ccc(C[C@H](CNCc2nc3ccccc3n2C(C)C)C(=O)OC)cc1 ZINC000095467743 568624890 /nfs/dbraw/zinc/62/48/90/568624890.db2.gz RVYMDXFFDPFQQY-LJQANCHMSA-N 0 1 409.530 4.137 50 0 HIAAMN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNC(=O)Nc1ccc(F)cc1F ZINC000225662164 568661411 /nfs/dbraw/zinc/66/14/11/568661411.db2.gz IBOXIHDPAJIWKW-QGZVFWFLSA-N 0 1 414.456 4.209 50 0 HIAAMN CC(C)(C)OC(=O)N1CCC[C@@H](N(Cc2ccc(F)cc2)Cc2cncnc2)CC1 ZINC000225672825 568662744 /nfs/dbraw/zinc/66/27/44/568662744.db2.gz ZNLQOEHMXNDWTD-OAQYLSRUSA-N 0 1 414.525 4.408 50 0 HIAAMN COc1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H](c3nc4ccc(C)cc4[nH]3)C2)c1 ZINC000095986234 568676470 /nfs/dbraw/zinc/67/64/70/568676470.db2.gz HWLYDTUPLFUIKQ-CQSZACIVSA-N 0 1 419.934 4.102 50 0 HIAAMN Cc1c(Cl)cccc1N1CCN(CCCOc2ccc3ccc(=O)oc3c2)CC1 ZINC000096028221 568686974 /nfs/dbraw/zinc/68/69/74/568686974.db2.gz XFDJIOHEHPGATB-UHFFFAOYSA-N 0 1 412.917 4.346 50 0 HIAAMN N[C@@H](Cc1ccccc1)C(=O)Nc1cc(-c2cc(Br)ccc2Cl)[nH]n1 ZINC000237818269 568725864 /nfs/dbraw/zinc/72/58/64/568725864.db2.gz ISXNQANANBQVOO-HNNXBMFYSA-N 0 1 419.710 4.001 50 0 HIAAMN Cc1[nH]c(C)c(S(=O)(=O)Nc2cc(F)ccc2C)c1-c1nnc(C2CCC2)o1 ZINC000096379725 568741424 /nfs/dbraw/zinc/74/14/24/568741424.db2.gz DQRDICZLHOCGDW-UHFFFAOYSA-N 0 1 404.467 4.197 50 0 HIAAMN Cc1[nH]c(C)c(S(=O)(=O)Nc2cc(C)ccc2C)c1-c1nnc(C2CCC2)o1 ZINC000096379700 568741428 /nfs/dbraw/zinc/74/14/28/568741428.db2.gz IOUWJNIDLVJORR-UHFFFAOYSA-N 0 1 400.504 4.367 50 0 HIAAMN CSc1cccc(NS(=O)(=O)c2c(C)[nH]c(C)c2-c2nnc(C3CCC3)o2)c1 ZINC000096379709 568741485 /nfs/dbraw/zinc/74/14/85/568741485.db2.gz RYGUHBIKQQDDHK-UHFFFAOYSA-N 0 1 418.544 4.472 50 0 HIAAMN O[C@H](CNCc1nn(Cc2ccccc2Cl)nc1-c1ccccc1)c1ccccc1 ZINC000247733766 568745694 /nfs/dbraw/zinc/74/56/94/568745694.db2.gz JCZUOEYZHPNMSI-HSZRJFAPSA-N 0 1 418.928 4.470 50 0 HIAAMN O[C@@H](CNCc1nn(Cc2ccc(Cl)cc2)nc1-c1ccccc1)c1ccccc1 ZINC000247745084 568745718 /nfs/dbraw/zinc/74/57/18/568745718.db2.gz QKXIBRQQHHOUJN-QHCPKHFHSA-N 0 1 418.928 4.470 50 0 HIAAMN COc1ccccc1NC(=O)[C@H]1CCCN(Cc2nc3ccccc3n2C(C)C)C1 ZINC000248180538 568748267 /nfs/dbraw/zinc/74/82/67/568748267.db2.gz YJIWVJFFNPGFHR-SFHVURJKSA-N 0 1 406.530 4.477 50 0 HIAAMN CCN(CC)C(=O)[C@@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(F)cc2)C1 ZINC000248235747 568748276 /nfs/dbraw/zinc/74/82/76/568748276.db2.gz DKPCJCYZILHAIH-GOSISDBHSA-N 0 1 408.521 4.245 50 0 HIAAMN CCn1c(-c2cc(NC(=O)COc3ccc(F)cc3)[nH]n2)cc2ccc(OC)cc21 ZINC000096400351 568749539 /nfs/dbraw/zinc/74/95/39/568749539.db2.gz CPOMDPMGTGKYMU-UHFFFAOYSA-N 0 1 408.433 4.217 50 0 HIAAMN CCc1cccc(NC(=O)c2cncc(NS(=O)(=O)c3ccc(C)cc3C)c2)c1 ZINC000021931941 568761748 /nfs/dbraw/zinc/76/17/48/568761748.db2.gz XWGLZTWDSPPSGM-UHFFFAOYSA-N 0 1 409.511 4.314 50 0 HIAAMN O=C(CSc1nncs1)Nc1ccc2nc(-c3cc(F)ccc3F)[nH]c2c1 ZINC000057004638 568823188 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CCc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2cccnc2)cc1 ZINC000006744614 569107396 /nfs/dbraw/zinc/10/73/96/569107396.db2.gz NULFYLHTXUTCDM-DEOSSOPVSA-N 0 1 410.477 4.485 50 0 HIAAMN CCCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@@H]1c1ccc(O)c(OCC)c1 ZINC000006752982 569111565 /nfs/dbraw/zinc/11/15/65/569111565.db2.gz IUQQIBOXSHLRSR-QFIPXVFZSA-N 0 1 407.470 4.232 50 0 HIAAMN CCCOc1ccc([C@H]2c3c(n[nH]c3-c3cc(C)ccc3O)C(=O)N2CCOC)cc1 ZINC000006753222 569111743 /nfs/dbraw/zinc/11/17/43/569111743.db2.gz VHYAEVMVDBNKBJ-QHCPKHFHSA-N 0 1 421.497 4.071 50 0 HIAAMN CCCOc1ccc([C@@H]2c3c(n[nH]c3-c3cc(C)ccc3O)C(=O)N2CCOC)cc1 ZINC000006753221 569111791 /nfs/dbraw/zinc/11/17/91/569111791.db2.gz VHYAEVMVDBNKBJ-HSZRJFAPSA-N 0 1 421.497 4.071 50 0 HIAAMN COc1ccc([C@@H](CNC(=O)c2ccc(-c3ccccc3)cc2)N(C)C)cc1OC ZINC000006787317 569122108 /nfs/dbraw/zinc/12/21/08/569122108.db2.gz OIYVBYDQDARUPC-JOCHJYFZSA-N 0 1 404.510 4.404 50 0 HIAAMN COc1cc2c(cc1NC(=O)[C@H](C)NCc1ccc3c(c1)OCO3)oc1ccccc12 ZINC000006788336 569122539 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COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)c2cc(F)cc(F)c2)c1 ZINC000012552275 568854161 /nfs/dbraw/zinc/85/41/61/568854161.db2.gz IEMIACDLMWUUNZ-UHFFFAOYSA-N 0 1 418.421 4.027 50 0 HIAAMN Cc1ccc(NC(=O)Cc2nc(CSc3nc(-c4ccncc4)n[nH]3)cs2)cc1 ZINC000012567312 568860748 /nfs/dbraw/zinc/86/07/48/568860748.db2.gz SLOQLPPDAOKRRT-UHFFFAOYSA-N 0 1 422.539 4.105 50 0 HIAAMN CN(C)CCCNc1oc(-c2ccc(Cl)cc2)nc1S(=O)(=O)c1ccccc1 ZINC000003236558 568865732 /nfs/dbraw/zinc/86/57/32/568865732.db2.gz KBIWONSGSLIFFM-UHFFFAOYSA-N 0 1 419.934 4.191 50 0 HIAAMN COc1ccc([C@@H](CNC(=O)c2cccc(Br)c2)N2CCCC2)cc1 ZINC000003422559 568900265 /nfs/dbraw/zinc/90/02/65/568900265.db2.gz RGDNNHVBAWSEKK-LJQANCHMSA-N 0 1 403.320 4.025 50 0 HIAAMN Cc1cc(-c2csc(C)n2)c(C)n1CC(=O)NC[C@H](c1cccs1)N(C)C ZINC000012762159 568946288 /nfs/dbraw/zinc/94/62/88/568946288.db2.gz BRYZDWRJLMUOQF-GOSISDBHSA-N 0 1 402.589 4.017 50 0 HIAAMN COc1ccc(C(=O)N[C@H](C(=O)Nc2ccc3nc(C(C)(C)C)[nH]c3c2)C(C)C)cc1 ZINC000008389687 568996761 /nfs/dbraw/zinc/99/67/61/568996761.db2.gz KJVWSHHDVXVZHT-FQEVSTJZSA-N 0 1 422.529 4.262 50 0 HIAAMN O=c1c2ccccc2nc(CSc2nc(-c3ccccc3)n[nH]2)n1Cc1ccco1 ZINC000012873808 569013511 /nfs/dbraw/zinc/01/35/11/569013511.db2.gz HYCVSCKSFSFZCG-UHFFFAOYSA-N 0 1 415.478 4.115 50 0 HIAAMN O=c1c(Cl)c(NN=Cc2ccc(Br)cc2)cnn1-c1ccccc1 ZINC000015923658 569022589 /nfs/dbraw/zinc/02/25/89/569022589.db2.gz XGOAMKIHJBMTBL-UHFFFAOYSA-N 0 1 403.667 4.094 50 0 HIAAMN COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000016147523 569029442 /nfs/dbraw/zinc/02/94/42/569029442.db2.gz KGBMXVLEIQFRLG-UHFFFAOYSA-N 0 1 422.812 4.127 50 0 HIAAMN Cc1ccc(NC(=O)CSC2=NC3(CCN(C)CC3)N=C2c2ccc(F)cc2)cc1 ZINC000035372538 569033880 /nfs/dbraw/zinc/03/38/80/569033880.db2.gz MAZUDXQKMNRLJX-UHFFFAOYSA-N 0 1 424.545 4.129 50 0 HIAAMN COc1cccc([C@H](CNC(=O)c2cnn(-c3cccc(C)c3)c2C)N2CCCC2)c1 ZINC000013003995 569049456 /nfs/dbraw/zinc/04/94/56/569049456.db2.gz OHHCZORQXMHSBB-DEOSSOPVSA-N 0 1 418.541 4.065 50 0 HIAAMN O=S(=O)(Nc1ccc2nc(-c3ccc(Br)o3)[nH]c2c1)c1ccccc1 ZINC000006498763 569061429 /nfs/dbraw/zinc/06/14/29/569061429.db2.gz QWMWFJCNXBNLIF-UHFFFAOYSA-N 0 1 418.272 4.386 50 0 aggregator HIAAMN CCCc1nc2c(cnn2-c2ccccc2)c(N2CCCN(Cc3ccco3)CC2)n1 ZINC000035925680 569066365 /nfs/dbraw/zinc/06/63/65/569066365.db2.gz IEEFBJMJDQJGJV-UHFFFAOYSA-N 0 1 416.529 4.073 50 0 HIAAMN CCCN1CCN(C(=O)Cn2cccc2-c2nc(-c3ccc(C)cc3)cs2)CC1 ZINC000064677217 569080720 /nfs/dbraw/zinc/08/07/20/569080720.db2.gz ZEXOVILQRQMSMJ-UHFFFAOYSA-N 0 1 408.571 4.141 50 0 HIAAMN CC(C)OC[C@@H](O)CN(Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036145961 569098547 /nfs/dbraw/zinc/09/85/47/569098547.db2.gz YCOIQORDEYDQNG-VXKWHMMOSA-N 0 1 416.949 4.121 50 0 HIAAMN CC[C@@H](O)CN(Cc1cccc(OC)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146341 569098661 /nfs/dbraw/zinc/09/86/61/569098661.db2.gz KHJGYKRMQBHRFS-CTNGQTDRSA-N 0 1 402.922 4.115 50 0 HIAAMN COc1cccc(CN(C[C@H](O)c2ccccc2)C[C@H]2CC(c3ccccc3)=NO2)c1 ZINC000036146483 569098766 /nfs/dbraw/zinc/09/87/66/569098766.db2.gz PEQQXODKAOKJSP-RSXGOPAZSA-N 0 1 416.521 4.424 50 0 HIAAMN CC(C)OCCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@H]1c1ccccc1F ZINC000006752869 569111537 /nfs/dbraw/zinc/11/15/37/569111537.db2.gz MCQJRGGFEKBLPW-JOCHJYFZSA-N 0 1 409.461 4.282 50 0 HIAAMN COc1ccc(C2=NN(C(=O)CN3CCCC[C@H]3C)[C@@H](c3ccccc3OC)C2)cc1 ZINC000169680176 569126778 /nfs/dbraw/zinc/12/67/78/569126778.db2.gz ZRUPGJMOTXMHIY-WZONZLPQSA-N 0 1 421.541 4.256 50 0 HIAAMN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CN2CCCC[C@H]2C)c(OC)c1 ZINC000036343337 569142888 /nfs/dbraw/zinc/14/28/88/569142888.db2.gz VHHOTAFBXIDPJK-JPYJTQIMSA-N 0 1 421.541 4.256 50 0 HIAAMN O=S(=O)(Nc1cccnc1)c1ccc(Cl)c(-c2nnc(-c3ccccc3)o2)c1 ZINC000064988023 569145582 /nfs/dbraw/zinc/14/55/82/569145582.db2.gz HAYGBUOQPAWMLN-UHFFFAOYSA-N 0 1 412.858 4.253 50 0 HIAAMN CCN1CCc2cc(OC)c(OC)cc2[C@@H]1[C@H](NC(=O)c1ccc(C)cc1)C(C)C ZINC000006871137 569161987 /nfs/dbraw/zinc/16/19/87/569161987.db2.gz MNSBERTVXDNUAV-DNQXCXABSA-N 0 1 410.558 4.386 50 0 HIAAMN O=C(NCc1n[nH]c(-c2ccccc2)n1)c1ccc(-c2nc3ccccc3s2)o1 ZINC000065614433 569238736 /nfs/dbraw/zinc/23/87/36/569238736.db2.gz NPFYTCCJJXXVTR-UHFFFAOYSA-N 0 1 401.451 4.271 50 0 HIAAMN O=C(NCc1nc(-c2ccccc2)n[nH]1)c1ccc(-c2nc3ccccc3s2)o1 ZINC000065614433 569238737 /nfs/dbraw/zinc/23/87/37/569238737.db2.gz NPFYTCCJJXXVTR-UHFFFAOYSA-N 0 1 401.451 4.271 50 0 HIAAMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cc(C(F)(F)F)cnc1Cl ZINC000170603898 569244196 /nfs/dbraw/zinc/24/41/96/569244196.db2.gz BENHWOBTJVPKJC-UHFFFAOYSA-N 0 1 412.843 4.066 50 0 HIAAMN Cc1nn(C(F)F)c(C)c1CC(=O)OC[C@@]1(F)CCN([C@H](C)c2ccccc2)C1 ZINC000170609306 569245108 /nfs/dbraw/zinc/24/51/08/569245108.db2.gz DHMLLPLZMLGYKB-QVKFZJNVSA-N 0 1 409.452 4.156 50 0 HIAAMN Cc1cc(O)c([C@H](c2cccc(F)c2)N2CCCCC2)c(=O)n1Cc1cccnc1 ZINC000016993798 569270906 /nfs/dbraw/zinc/27/09/06/569270906.db2.gz NJOFFIICULMQFP-QHCPKHFHSA-N 0 1 407.489 4.020 50 0 HIAAMN Cc1cncc(CCC(=O)N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000328592633 569415457 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