smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(-c2n[nH]c(SCc3cccc4cccnc43)n2)cc1 ZINC000054154980 214220219 /nfs/dbraw/zinc/22/02/19/214220219.db2.gz FCVHFENCVXXVSK-UHFFFAOYSA-N 0 1 332.432 4.621 50 0 EJAAMN CN(Cc1cc(C(C)(C)C)[nH]n1)Cc1ccc2cccc(Cl)c2n1 ZINC000097713586 219050896 /nfs/dbraw/zinc/05/08/96/219050896.db2.gz KFIYPIJBBSLKEI-UHFFFAOYSA-N 0 1 342.874 4.541 50 0 EJAAMN Cc1ccc(NC(=O)CNC(c2ccccc2)c2ccccc2)c(C)c1 ZINC000054531215 214244068 /nfs/dbraw/zinc/24/40/68/214244068.db2.gz ZEZZCKBEJABUKI-UHFFFAOYSA-N 0 1 344.458 4.621 50 0 EJAAMN Cc1ccc(-c2cnc(NCc3ccc(Cl)cc3)n2C)cc1C ZINC000004678731 210244678 /nfs/dbraw/zinc/24/46/78/210244678.db2.gz APXBCLPACYAOKL-UHFFFAOYSA-N 0 1 325.843 4.969 50 0 EJAAMN CCOc1ccc(-c2cnc(NCc3ccc(CC)cc3)n2C)cc1 ZINC000004679005 210244369 /nfs/dbraw/zinc/24/43/69/210244369.db2.gz DFOVXTRGCQKUCV-UHFFFAOYSA-N 0 1 335.451 4.660 50 0 EJAAMN Clc1ccccc1COc1cccc(CNCc2cccnc2)c1 ZINC000004168201 210138020 /nfs/dbraw/zinc/13/80/20/210138020.db2.gz DKLFBHXUTPRJMN-UHFFFAOYSA-N 0 1 338.838 4.604 50 0 EJAAMN Cc1ccc2nc(CN3CCC[C@H]3c3cc(C(C)C)on3)[nH]c2c1C ZINC000067908375 215247056 /nfs/dbraw/zinc/24/70/56/215247056.db2.gz CSBIRWFZBNTTRU-KRWDZBQOSA-N 0 1 338.455 4.628 50 0 EJAAMN C[C@@H](c1ccccn1)N(C)Cc1c(-c2ccccc2)nc2ccccn21 ZINC000067946915 215255667 /nfs/dbraw/zinc/25/56/67/215255667.db2.gz HUNZIKNYEFDPFT-KRWDZBQOSA-N 0 1 342.446 4.589 50 0 EJAAMN COc1ccc([C@H](C)N[C@@H](C)c2ccc(C)o2)cc1Br ZINC000037105975 213132650 /nfs/dbraw/zinc/13/26/50/213132650.db2.gz DHYHUZYNEYWXPK-RYUDHWBXSA-N 0 1 338.245 4.771 50 0 EJAAMN Cc1ccc([C@H]2c3cccn3CCCN2Cc2ccc(F)cc2)cc1 ZINC000036347245 213086489 /nfs/dbraw/zinc/08/64/89/213086489.db2.gz GYVRUFQUHMBACU-QFIPXVFZSA-N 0 1 334.438 4.931 50 0 EJAAMN CC(C)CCN[C@@H]1c2ccccc2C(=O)N1[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000036167303 213073846 /nfs/dbraw/zinc/07/38/46/213073846.db2.gz BZJSNQIIXJXKDL-SMOSDQRPSA-N 0 1 328.500 4.601 50 0 EJAAMN CCOc1cc2c(cc1CN1CCC[C@@H]1c1c(C)noc1C)CCC2 ZINC000215939363 241157793 /nfs/dbraw/zinc/15/77/93/241157793.db2.gz GKVZWNQEUKMUGC-LJQANCHMSA-N 0 1 340.467 4.516 50 0 EJAAMN Fc1cccc([C@H]2NCc3c4c(sc3-n3cccc32)CCCC4)c1 ZINC000020864947 212178330 /nfs/dbraw/zinc/17/83/30/212178330.db2.gz OKQIRETVJSRVTP-LJQANCHMSA-N 0 1 338.451 4.749 50 0 EJAAMN CC(C)(C)C(O)=C(C(=O)C(F)(F)F)C12CC3CC(CC(C3)C1)C2 ZINC000019874256 212079000 /nfs/dbraw/zinc/07/90/00/212079000.db2.gz WSASGHMQGPVLPU-CQCMJFKXSA-N 0 1 330.390 4.566 50 0 EJAAMN CC(C)C(=O)N1CCC[C@@H](c2[nH]ncc2-c2cccc3ccccc32)C1 ZINC000012246251 211329502 /nfs/dbraw/zinc/32/95/02/211329502.db2.gz MCILGKIXFGOKMZ-QGZVFWFLSA-N 0 1 347.462 4.592 50 0 EJAAMN CCOc1ccc(-c2cc(-c3nc(-c4ccccc4C)no3)[nH]n2)cc1 ZINC000010272976 211160052 /nfs/dbraw/zinc/16/00/52/211160052.db2.gz SCAOQMRBFILWIB-UHFFFAOYSA-N 0 1 346.390 4.501 50 0 EJAAMN CCc1ccc(/C=C2\CN(C)C/C(=C\c3ccc(CC)cc3)C2O)cc1 ZINC000095093709 218280784 /nfs/dbraw/zinc/28/07/84/218280784.db2.gz OLLXKZAKKAXRMF-HOFJZWJUSA-N 0 1 347.502 4.585 50 0 EJAAMN Nc1ccc(-c2nc3cc(-c4nc5ccccc5o4)ccc3[nH]2)cc1 ZINC000005075195 210385487 /nfs/dbraw/zinc/38/54/87/210385487.db2.gz UXSGJSHUANWDRS-UHFFFAOYSA-N 0 1 326.359 4.620 50 0 aggregator EJAAMN Cc1[nH]c2ccccc2c1C(=O)CN1CCC(Cc2ccccc2)CC1 ZINC000004811637 210282969 /nfs/dbraw/zinc/28/29/69/210282969.db2.gz XLRLAPVHTDNJAC-UHFFFAOYSA-N 0 1 346.474 4.614 50 0 EJAAMN C[C@H](N[C@H](CO)c1ccc(Cl)c(F)c1)c1ccc(Cl)cc1 ZINC000092769334 564089082 /nfs/dbraw/zinc/08/90/82/564089082.db2.gz IAUZZTXZEUXUMU-MGPLVRAMSA-N 0 1 328.214 4.517 50 0 EJAAMN Oc1ccccc1-c1nc2ccccc2c(NCCc2ccccc2)n1 ZINC000000119387 563233708 /nfs/dbraw/zinc/23/37/08/563233708.db2.gz WAOBBSDPIQFRNV-UHFFFAOYSA-N 0 1 341.414 4.657 50 0 EJAAMN O=C1C(=Nc2ccccc2)C[C@H](c2ccc(F)cc2)N1c1ccccc1 ZINC000000122488 563235091 /nfs/dbraw/zinc/23/50/91/563235091.db2.gz RCHOMWTUXBTZPF-OAQYLSRUSA-N 0 1 344.389 4.910 50 0 EJAAMN FC(F)(F)c1cccc(-n2c(Cc3ccccc3)n[nH]c2=S)c1 ZINC000000159499 563248472 /nfs/dbraw/zinc/24/84/72/563248472.db2.gz CFWNGZCINJXDFF-UHFFFAOYSA-N 0 1 335.354 4.539 50 0 EJAAMN C[C@@H]1Oc2ccccc2OC1C(=O)N(c1ccccc1)c1ccccc1 ZINC000000468685 563330075 /nfs/dbraw/zinc/33/00/75/563330075.db2.gz UFUHJAURAOIODI-KKSFZXQISA-N 0 1 345.398 4.580 50 0 EJAAMN CSc1ccccc1C(=O)c1cccc(CN2CCCCC2)c1 ZINC000002515003 563435971 /nfs/dbraw/zinc/43/59/71/563435971.db2.gz ORCIEPKAXJAJCO-UHFFFAOYSA-N 0 1 325.477 4.625 50 0 EJAAMN CSc1ccccc1C(=O)c1ccccc1CN1CCCCC1 ZINC000002515500 563436605 /nfs/dbraw/zinc/43/66/05/563436605.db2.gz KQHOQRMGDYFTHD-UHFFFAOYSA-N 0 1 325.477 4.625 50 0 EJAAMN O=C(c1ccccc1CN1CCCC1)c1cccc(Cl)c1Cl ZINC000002515580 563437165 /nfs/dbraw/zinc/43/71/65/563437165.db2.gz BNSRCDYGKFIWRV-UHFFFAOYSA-N 0 1 334.246 4.820 50 0 EJAAMN CCc1n[nH]c(-c2cccc(F)c2)c1NC(=O)c1ccc(Cl)cc1 ZINC000034794982 563479982 /nfs/dbraw/zinc/47/99/82/563479982.db2.gz XACYBTKGNJZTNQ-UHFFFAOYSA-N 0 1 343.789 4.684 50 0 EJAAMN O=C(Cc1ccccc1)Nc1c(-c2ccccc2)n[nH]c1-c1ccco1 ZINC000034796895 563481181 /nfs/dbraw/zinc/48/11/81/563481181.db2.gz ZWZLEGDVVRWGEG-UHFFFAOYSA-N 0 1 343.386 4.518 50 0 EJAAMN CCCCOc1ccccc1-c1n[nH]c(SCc2ccccc2)n1 ZINC000006359804 563565878 /nfs/dbraw/zinc/56/58/78/563565878.db2.gz PIZNNGJMVHDWDO-UHFFFAOYSA-N 0 1 339.464 4.943 50 0 EJAAMN Clc1ccc(COc2ccccc2CNCc2ccncc2)cc1 ZINC000006672002 563577974 /nfs/dbraw/zinc/57/79/74/563577974.db2.gz PTULWTCPJCOXCV-UHFFFAOYSA-N 0 1 338.838 4.604 50 0 EJAAMN Clc1ccc(COc2ccc(CNCc3ccccn3)cc2)cc1 ZINC000006701454 563579657 /nfs/dbraw/zinc/57/96/57/563579657.db2.gz RTEHTMVOSUREET-UHFFFAOYSA-N 0 1 338.838 4.604 50 0 EJAAMN Clc1ccccc1COc1cccc(CNCc2ccccn2)c1 ZINC000006703254 563580806 /nfs/dbraw/zinc/58/08/06/563580806.db2.gz GPAHNRPLVORPEM-UHFFFAOYSA-N 0 1 338.838 4.604 50 0 EJAAMN Clc1ccccc1COc1ccc(CNCc2ccco2)cc1 ZINC000007523585 563603892 /nfs/dbraw/zinc/60/38/92/563603892.db2.gz UDNUQQWJYWDILF-UHFFFAOYSA-N 0 1 327.811 4.802 50 0 EJAAMN COc1ccc(CNCc2ccc(-c3ccc(Cl)cc3)o2)cc1 ZINC000007538635 563605164 /nfs/dbraw/zinc/60/51/64/563605164.db2.gz BADHCEPWNQKWNZ-UHFFFAOYSA-N 0 1 327.811 4.898 50 0 EJAAMN CSc1ccc(CN[C@H](C)c2cnn(-c3ccccc3)c2C)cc1 ZINC000012595913 563664713 /nfs/dbraw/zinc/66/47/13/563664713.db2.gz WMZBWIORRJQFOR-OAHLLOKOSA-N 0 1 337.492 4.753 50 0 EJAAMN O=C(c1c[nH]c2ccccc12)[C@H](NCCc1ccco1)c1ccccc1 ZINC000014199148 563749751 /nfs/dbraw/zinc/74/97/51/563749751.db2.gz ARLUJHUOHHKIOC-OAQYLSRUSA-N 0 1 344.414 4.517 50 0 EJAAMN COc1ccc(CN(Cc2cc(-c3ccccc3)no2)C2CC2)cc1 ZINC000029699611 563907824 /nfs/dbraw/zinc/90/78/24/563907824.db2.gz OSKOLZQNXRALDL-UHFFFAOYSA-N 0 1 334.419 4.515 50 0 EJAAMN C[C@H](NC(c1ccccc1)c1ccccc1)C(=O)Nc1ccccc1F ZINC000058160544 563938288 /nfs/dbraw/zinc/93/82/88/563938288.db2.gz RAXKHNASNHXVTP-INIZCTEOSA-N 0 1 348.421 4.532 50 0 EJAAMN Cn1c(-c2ccccc2)cnc1NCc1ccc(C(F)(F)F)cc1 ZINC000004678465 563963762 /nfs/dbraw/zinc/96/37/62/563963762.db2.gz ODRAZRNHVFAOJB-UHFFFAOYSA-N 0 1 331.341 4.718 50 0 EJAAMN Cc1ccc2nc([C@H]3CCCN3C(=O)c3coc4ccccc34)[nH]c2c1 ZINC000077564235 563970329 /nfs/dbraw/zinc/97/03/29/563970329.db2.gz KTZZBRNMQKQKRA-GOSISDBHSA-N 0 1 345.402 4.595 50 0 EJAAMN COc1cccc(CN[C@@H](C)c2ccc(Cl)c(Cl)c2)c1OC ZINC000060831724 563976245 /nfs/dbraw/zinc/97/62/45/563976245.db2.gz SQKMQQFXRAJFEA-NSHDSACASA-N 0 1 340.250 4.861 50 0 EJAAMN Cc1cncc(CN[C@H](Cc2ccc(Cl)cc2)c2ccccn2)c1 ZINC000408514355 563992827 /nfs/dbraw/zinc/99/28/27/563992827.db2.gz ZKDZSGMHWPBTFS-HXUWFJFHSA-N 0 1 337.854 4.512 50 0 EJAAMN COc1ccc(-c2cc(-c3c(O)ccc4ccccc43)n[nH]2)cc1OC ZINC000005095274 563994330 /nfs/dbraw/zinc/99/43/30/563994330.db2.gz RAJLGKIZSNSMJZ-UHFFFAOYSA-N 0 1 346.386 4.620 50 0 EJAAMN C[C@H](N[C@H](c1cc(F)ccc1F)C1CC1)c1ccc([S@](C)=O)cc1 ZINC000252486196 563997756 /nfs/dbraw/zinc/99/77/56/563997756.db2.gz GNTTXLPMWGIIQE-JGWMJADOSA-N 0 1 349.446 4.504 50 0 EJAAMN Cc1cccc(-c2noc(-c3cc(-c4ccc(Cl)cc4)n[nH]3)n2)c1 ZINC000046913953 564025509 /nfs/dbraw/zinc/02/55/09/564025509.db2.gz XSGTYSYOCBSWGN-UHFFFAOYSA-N 0 1 336.782 4.756 50 0 EJAAMN Cc1ccccc1-c1cc(-c2nc(-c3cccc(Cl)c3)no2)[nH]n1 ZINC000046914359 564025560 /nfs/dbraw/zinc/02/55/60/564025560.db2.gz CMYMBWISMKIZQI-UHFFFAOYSA-N 0 1 336.782 4.756 50 0 EJAAMN O=C(Nc1ccc(F)c(F)c1)c1cc(-c2cccc3ccccc32)n[nH]1 ZINC000044838127 564027311 /nfs/dbraw/zinc/02/73/11/564027311.db2.gz JNRUZFHWHHAYOJ-UHFFFAOYSA-N 0 1 349.340 4.760 50 0 EJAAMN O=C(Nc1cc(F)ccc1F)c1cc(-c2cccc3ccccc32)n[nH]1 ZINC000044838122 564027331 /nfs/dbraw/zinc/02/73/31/564027331.db2.gz SXKRNWHWSKAXJS-UHFFFAOYSA-N 0 1 349.340 4.760 50 0 EJAAMN CCOc1ccc(-c2cnc(NCc3ccc(Cl)cc3)n2C)cc1 ZINC000004679004 564066042 /nfs/dbraw/zinc/06/60/42/564066042.db2.gz AGNMLOQGLXMSCS-UHFFFAOYSA-N 0 1 341.842 4.751 50 0 EJAAMN C[C@H](C(=O)N[C@@H](C)c1ccccc1)N(C)Cc1ccc2ccccc2c1 ZINC000012767385 564068251 /nfs/dbraw/zinc/06/82/51/564068251.db2.gz YZPQRRYNVAHOEH-ZWKOTPCHSA-N 0 1 346.474 4.538 50 0 EJAAMN O=C(Nc1ccc2nc(CCc3ccccc3)[nH]c2c1)c1cccs1 ZINC000015863860 564077151 /nfs/dbraw/zinc/07/71/51/564077151.db2.gz ISMBULANZGYJRI-UHFFFAOYSA-N 0 1 347.443 4.662 50 0 EJAAMN O[C@H](c1ccccc1)[C@H](NCc1ccccc1Cl)c1ccccc1 ZINC000075283228 564081527 /nfs/dbraw/zinc/08/15/27/564081527.db2.gz QZLPISWAPZYBBS-NHCUHLMSSA-N 0 1 337.850 4.905 50 0 EJAAMN Clc1cc2c(s1)CC[C@@H]2NCc1ccnc(OC2CCC2)c1 ZINC000090912190 564087013 /nfs/dbraw/zinc/08/70/13/564087013.db2.gz SGLNLKHZTJSSFT-AWEZNQCLSA-N 0 1 334.872 4.505 50 0 EJAAMN Cc1[nH]c2c(Cl)cccc2c(=O)c1CN(C)Cc1ccccc1 ZINC000008700854 564087269 /nfs/dbraw/zinc/08/72/69/564087269.db2.gz OFKVXESFRKEOJJ-UHFFFAOYSA-N 0 1 326.827 4.534 50 0 EJAAMN COc1cccc(-n2c(=S)[nH]nc2[C@@H]2C[C@H]2c2ccc(C)cc2)c1 ZINC000006533837 564091663 /nfs/dbraw/zinc/09/16/63/564091663.db2.gz RZLCWCPSHYSWNR-DLBZAZTESA-N 0 1 337.448 4.518 50 0 EJAAMN Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)N2CCCCCC2)c1 ZINC000007377988 564107107 /nfs/dbraw/zinc/10/71/07/564107107.db2.gz GYGIQUSJQTVWIS-OAQYLSRUSA-N 0 1 336.479 4.859 50 0 EJAAMN CCCCN1Cc2ccc(NC(=O)/C=C\c3cccs3)cc2C1 ZINC000096315838 564146758 /nfs/dbraw/zinc/14/67/58/564146758.db2.gz RMONFMYBVRGADC-HJWRWDBZSA-N 0 1 326.465 4.516 50 0 EJAAMN Cc1cc(C)c(NC(=O)c2cc(-c3ccccc3Cl)n[nH]2)c(C)c1 ZINC000057412184 564154045 /nfs/dbraw/zinc/15/40/45/564154045.db2.gz VUBBWAFLTFCRSX-UHFFFAOYSA-N 0 1 339.826 4.908 50 0 EJAAMN Cc1cccc(NC(=O)c2cc(-c3ccccc3Cl)n[nH]2)c1C ZINC000057412202 564154084 /nfs/dbraw/zinc/15/40/84/564154084.db2.gz LTUBFPZTYAFLSP-UHFFFAOYSA-N 0 1 325.799 4.599 50 0 EJAAMN Cc1cccc(C)c1NC(=O)c1cc(-c2cccc(Cl)c2)n[nH]1 ZINC000057412486 564154103 /nfs/dbraw/zinc/15/41/03/564154103.db2.gz ZKHTXGIRPREECJ-UHFFFAOYSA-N 0 1 325.799 4.599 50 0 EJAAMN CC[C@@H](NCc1cnc(-c2cccc(C)c2)nc1)c1ccc(F)cc1 ZINC000055088031 214270293 /nfs/dbraw/zinc/27/02/93/214270293.db2.gz JZZIOSHUBLGTQI-HXUWFJFHSA-N 0 1 335.426 4.832 50 0 EJAAMN CCOc1ccc(-c2cnc(NCc3cccc(Cl)c3)n2C)cc1 ZINC000004678933 210244530 /nfs/dbraw/zinc/24/45/30/210244530.db2.gz UWYJQBYGVLNZPM-UHFFFAOYSA-N 0 1 341.842 4.751 50 0 EJAAMN Cc1ccc(-c2cnc(NCc3c(F)cccc3Cl)n2C)cc1 ZINC000004678414 210244342 /nfs/dbraw/zinc/24/43/42/210244342.db2.gz QQTRLGFVPIADFG-UHFFFAOYSA-N 0 1 329.806 4.800 50 0 EJAAMN Cc1cc(C)c(NC(=O)c2cc(-c3cccc(Cl)c3)n[nH]2)c(C)c1 ZINC000057412463 214426089 /nfs/dbraw/zinc/42/60/89/214426089.db2.gz GKPLKAYXJJQUDZ-UHFFFAOYSA-N 0 1 339.826 4.908 50 0 EJAAMN Cc1ccc(-c2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)[nH]n2)cc1 ZINC000044837730 213649677 /nfs/dbraw/zinc/64/96/77/213649677.db2.gz GTGXSOCDFBZTAX-UHFFFAOYSA-N 0 1 346.217 4.944 50 0 EJAAMN Oc1ccccc1-c1nnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000003419287 210033868 /nfs/dbraw/zinc/03/38/68/210033868.db2.gz YNJRKXVCRCMYBO-UHFFFAOYSA-N 0 1 325.371 4.578 50 0 EJAAMN Cc1cc(C)cc(NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)c1 ZINC000040478248 213314082 /nfs/dbraw/zinc/31/40/82/213314082.db2.gz CZIKDISXZUFPJX-UHFFFAOYSA-N 0 1 325.799 4.599 50 0 EJAAMN Oc1ccc(Br)cc1-c1cc(-c2ccccc2Cl)[nH]n1 ZINC000013126309 201364678 /nfs/dbraw/zinc/36/46/78/201364678.db2.gz MMLKBDGKQVDEEK-UHFFFAOYSA-N 0 1 349.615 4.865 50 0 EJAAMN CNc1nc(CN2[C@@H]3CC[C@H]2C[C@@H](c2ccc(F)c(C)c2)C3)cs1 ZINC000244828609 243088084 /nfs/dbraw/zinc/08/80/84/243088084.db2.gz TZHOUAQUMRFWPZ-ACHSLPGTSA-N 0 1 345.487 4.543 50 0 EJAAMN C[C@H]1CN(CCCOc2ccc(Cl)cc2C(C)(C)C)C[C@H](C)O1 ZINC000020167513 212108251 /nfs/dbraw/zinc/10/82/51/212108251.db2.gz XLYSZANINBJJJD-GJZGRUSLSA-N 0 1 339.907 4.516 50 0 EJAAMN C[C@H](Nc1ccc(N2CCCCCC2)cc1)c1nc(C2CC2)no1 ZINC000078624353 217090060 /nfs/dbraw/zinc/09/00/60/217090060.db2.gz DNPZCRUDIPQSES-AWEZNQCLSA-N 0 1 326.444 4.501 50 0 EJAAMN O=C(CSc1nc2ccc(Cl)cc2[nH]1)c1c[nH]c2ccccc12 ZINC000012508111 211394562 /nfs/dbraw/zinc/39/45/62/211394562.db2.gz LDBMUOFBARYYRY-UHFFFAOYSA-N 0 1 341.823 4.673 50 0 EJAAMN CSc1ccc(CNCc2cccnc2Oc2ccccc2)cc1 ZINC000012076647 211288517 /nfs/dbraw/zinc/28/85/17/211288517.db2.gz PKTMIMJFRAZBQQ-UHFFFAOYSA-N 0 1 336.460 4.886 50 0 EJAAMN c1ccc(CN(Cc2nc(-c3ccccc3)no2)CC2CCC2)cc1 ZINC000012075737 211286175 /nfs/dbraw/zinc/28/61/75/211286175.db2.gz KCOBUYXIHMDYRF-UHFFFAOYSA-N 0 1 333.435 4.539 50 0 EJAAMN CN(Cc1ncc(-c2ccc(F)cc2)o1)[C@@H]1CCCc2ccccc21 ZINC000011285345 211210367 /nfs/dbraw/zinc/21/03/67/211210367.db2.gz LXXOHSBPSNWPEM-LJQANCHMSA-N 0 1 336.410 4.990 50 0 EJAAMN Cc1csc([C@H](NCc2cc(Cl)cc3cccnc32)C2CC2)n1 ZINC000095418539 218358850 /nfs/dbraw/zinc/35/88/50/218358850.db2.gz SBRJCLHFICGINB-QGZVFWFLSA-N 0 1 343.883 4.894 50 0 EJAAMN COc1cc([C@@H](C)N[C@@H]2CCOc3ccccc32)ccc1SC ZINC000095419370 218359106 /nfs/dbraw/zinc/35/91/06/218359106.db2.gz CYWWOYIAZAYJRO-CZUORRHYSA-N 0 1 329.465 4.592 50 0 EJAAMN C[C@H](c1nc2ccccc2n1CCOc1ccccc1)N1CCCCC1 ZINC000006665014 210673901 /nfs/dbraw/zinc/67/39/01/210673901.db2.gz WROIWPZRFNQFBL-GOSISDBHSA-N 0 1 349.478 4.662 50 0 EJAAMN Cc1ccc(-n2c(=S)[nH]nc2C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004983752 210347984 /nfs/dbraw/zinc/34/79/84/210347984.db2.gz IWFVTRRJLXXKDQ-UHFFFAOYSA-N 0 1 325.481 4.706 50 0 EJAAMN C[C@@H]1CCCN(CCOc2ccc3ccccc3c2Br)C1 ZINC000004914374 210322173 /nfs/dbraw/zinc/32/21/73/210322173.db2.gz AIMUFYVOHLVFCJ-CQSZACIVSA-N 0 1 348.284 4.713 50 0 EJAAMN Cc1ccc(-c2cc(C(=O)N3CCCCC[C@H]3c3ccco3)n[nH]2)cc1 ZINC000097578454 219036339 /nfs/dbraw/zinc/03/63/39/219036339.db2.gz YBEANHCNBLKQIL-IBGZPJMESA-N 0 1 349.434 4.736 50 0 EJAAMN Cc1cc(C)c(NS(=O)(=O)c2cc(Cl)ccc2Cl)c(C)c1 ZINC000000282896 563272214 /nfs/dbraw/zinc/27/22/14/563272214.db2.gz TUNPGETVNGGGQU-UHFFFAOYSA-N 0 1 344.263 4.719 50 0 EJAAMN O=C(c1ccc(C(F)(F)F)cc1)c1cccc(CN2CCCC2)c1 ZINC000002515079 563436384 /nfs/dbraw/zinc/43/63/84/563436384.db2.gz HXSZCZUWEOAKJY-UHFFFAOYSA-N 0 1 333.353 4.532 50 0 EJAAMN O=C(c1cccc(CN2CCCC2)c1)c1ccc(Cl)c(Cl)c1 ZINC000002515087 563436430 /nfs/dbraw/zinc/43/64/30/563436430.db2.gz BYHONMZZZUEJSR-UHFFFAOYSA-N 0 1 334.246 4.820 50 0 EJAAMN O=C(c1ccccc1CN1CCCC1)c1cc(Cl)ccc1Cl ZINC000002515582 563437176 /nfs/dbraw/zinc/43/71/76/563437176.db2.gz QMFIZOGWSVFQFT-UHFFFAOYSA-N 0 1 334.246 4.820 50 0 EJAAMN Cc1ccc(-c2[nH]nc(C3CC3)c2NC(=O)c2cccc(F)c2)c(C)c1 ZINC000034794853 563479888 /nfs/dbraw/zinc/47/98/88/563479888.db2.gz FDHSVLAIUQZSEA-UHFFFAOYSA-N 0 1 349.409 4.962 50 0 EJAAMN Clc1ccc(COc2cccc(CNCc3cccnc3)c2)cc1 ZINC000004675756 563507805 /nfs/dbraw/zinc/50/78/05/563507805.db2.gz HDWAWUJEQQVUNN-UHFFFAOYSA-N 0 1 338.838 4.604 50 0 EJAAMN CCN(CC)[C@@H]1C(=O)Nc2ccc(Cl)cc2[C@H]1c1ccccc1 ZINC000006783630 563586491 /nfs/dbraw/zinc/58/64/91/563586491.db2.gz VBMSIUSIEAGKMP-MSOLQXFVSA-N 0 1 328.843 4.784 50 0 EJAAMN CCCc1cc(Nc2ccncc2)n2nc(C)c(-c3ccccc3)c2n1 ZINC000008628405 563633625 /nfs/dbraw/zinc/63/36/25/563633625.db2.gz FNOVJEJTUXZKOG-UHFFFAOYSA-N 0 1 343.434 4.796 50 0 EJAAMN CSc1cccc(CN[C@H](C)c2cnn(-c3ccccc3)c2C)c1 ZINC000012571160 563663433 /nfs/dbraw/zinc/66/34/33/563663433.db2.gz JYBAZRABEHGDJE-OAHLLOKOSA-N 0 1 337.492 4.753 50 0 EJAAMN CSc1ccccc1C(=O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000012597399 563665053 /nfs/dbraw/zinc/66/50/53/563665053.db2.gz QVLFGWJAQUNGAU-KRWDZBQOSA-N 0 1 325.477 4.503 50 0 EJAAMN Cc1ccccc1NC(=O)[C@@H](C)N(C)Cc1ccc2ccccc2c1 ZINC000012992650 563682758 /nfs/dbraw/zinc/68/27/58/563682758.db2.gz FJLKKRPPIISOIZ-QGZVFWFLSA-N 0 1 332.447 4.607 50 0 EJAAMN CC(C)(C)c1nc2ccc(NC(=O)c3cc4ccccc4o3)cc2[nH]1 ZINC000032721220 563703267 /nfs/dbraw/zinc/70/32/67/563703267.db2.gz XABMJIZTDWJJRW-UHFFFAOYSA-N 0 1 333.391 4.859 50 0 EJAAMN C/C=C/c1ccc(OCc2nc3ccc(Cl)cc3[nH]2)c(OC)c1 ZINC000016903958 563825577 /nfs/dbraw/zinc/82/55/77/563825577.db2.gz ZAJMGEYZGMRZCN-ONEGZZNKSA-N 0 1 328.799 4.837 50 0 biogenic EJAAMN CCc1ccccc1NC(=O)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000025092392 563880992 /nfs/dbraw/zinc/88/09/92/563880992.db2.gz SKYXIBPPKINSGJ-UHFFFAOYSA-N 0 1 325.799 4.545 50 0 EJAAMN COc1ccc2nc(SCc3csc(-c4ccco4)n3)[nH]c2c1 ZINC000025434166 563884613 /nfs/dbraw/zinc/88/46/13/563884613.db2.gz KIDNWVSERKQYCL-UHFFFAOYSA-N 0 1 343.433 4.580 50 0 EJAAMN CN(Cc1coc(-c2ccc(F)cc2)n1)[C@H]1CCCc2ccccc21 ZINC000028966322 563904849 /nfs/dbraw/zinc/90/48/49/563904849.db2.gz VPNVXLZXHNKVBK-FQEVSTJZSA-N 0 1 336.410 4.990 50 0 EJAAMN Cc1ccc2nc(CCc3ccc(NC(=O)CC(C)C)cc3)[nH]c2c1 ZINC000032960958 563916770 /nfs/dbraw/zinc/91/67/70/563916770.db2.gz LRSCUPOQSUSQHZ-UHFFFAOYSA-N 0 1 335.451 4.641 50 0 EJAAMN Cc1ccc(NCc2n[nH]c(=S)n2-c2ccccc2)cc1Cl ZINC000006533881 563929790 /nfs/dbraw/zinc/92/97/90/563929790.db2.gz ZMWPHFCACAUBNV-UHFFFAOYSA-N 0 1 330.844 4.504 50 0 EJAAMN CN(C(=O)c1cccc2[nH]ncc21)c1ccc(Oc2ccccc2)cc1 ZINC000058298684 563942022 /nfs/dbraw/zinc/94/20/22/563942022.db2.gz HOHGIWUJAYQLGQ-UHFFFAOYSA-N 0 1 343.386 4.632 50 0 EJAAMN Cc1ccccc1OCCCN(C)Cc1cc(-c2ccccc2)no1 ZINC000059393681 563948779 /nfs/dbraw/zinc/94/87/79/563948779.db2.gz JAMQCQFWXRDSEX-UHFFFAOYSA-N 0 1 336.435 4.551 50 0 EJAAMN Cc1cc([C@H]2CCCN2Cc2ccc(OCc3ccccc3)cc2)on1 ZINC000064666842 563956955 /nfs/dbraw/zinc/95/69/55/563956955.db2.gz UOVRXHDWRDUKQI-OAQYLSRUSA-N 0 1 348.446 4.899 50 0 EJAAMN CC(C)c1ccc(-c2cc([C@@H]3CCN(Cc4ncc[nH]4)C3)ccn2)cc1 ZINC000065429838 563960832 /nfs/dbraw/zinc/96/08/32/563960832.db2.gz PUQAPAPDTOLPHA-HXUWFJFHSA-N 0 1 346.478 4.585 50 0 EJAAMN Fc1ccc2nc([C@H]3CCCN3Cc3cc(F)cc(Cl)c3)[nH]c2c1 ZINC000077376070 563969226 /nfs/dbraw/zinc/96/92/26/563969226.db2.gz FYZOFHUHPKDUPN-QGZVFWFLSA-N 0 1 347.796 4.832 50 0 EJAAMN CCc1nc2ccc(CCC(=O)N[C@H](C)c3ccc(C)cc3C)cc2[nH]1 ZINC000033290549 563973037 /nfs/dbraw/zinc/97/30/37/563973037.db2.gz KDGWZFIPJJIWRK-MRXNPFEDSA-N 0 1 349.478 4.552 50 0 EJAAMN Cc1ccc(-c2cc(-c3ccc(Br)cc3)[nH]n2)c(O)c1 ZINC000003876296 564004707 /nfs/dbraw/zinc/00/47/07/564004707.db2.gz HZENENAVKUOEEZ-UHFFFAOYSA-N 0 1 329.197 4.520 50 0 EJAAMN CC[C@H]1CCCCN1c1nc(-c2ccccc2O)nc2ccccc21 ZINC000005562113 564005594 /nfs/dbraw/zinc/00/55/94/564005594.db2.gz IEGDVRGHVDVMGS-HNNXBMFYSA-N 0 1 333.435 4.771 50 0 EJAAMN CC(C)C[C@@H](C(=O)Nc1ccc2nc(C(C)C)[nH]c2c1)n1cccc1 ZINC000409413612 564012218 /nfs/dbraw/zinc/01/22/18/564012218.db2.gz JKXPWDWUHQNTSR-SFHVURJKSA-N 0 1 338.455 4.714 50 0 EJAAMN Cc1cccc(NC(=O)CSc2nc3ccc(Cl)cc3[nH]2)c1C ZINC000018227693 564018890 /nfs/dbraw/zinc/01/88/90/564018890.db2.gz UPSMEXGDSFSTLU-UHFFFAOYSA-N 0 1 345.855 4.564 50 0 EJAAMN c1cnn(-c2ccc(CN(Cc3ccco3)Cc3ccccc3)cc2)c1 ZINC000048354231 564031346 /nfs/dbraw/zinc/03/13/46/564031346.db2.gz HXXMPZGICOTALG-UHFFFAOYSA-N 0 1 343.430 4.668 50 0 EJAAMN CC(C)n1cc([C@H](C)N[C@@H](C)c2cccc(Br)c2)cn1 ZINC000095962850 564033839 /nfs/dbraw/zinc/03/38/39/564033839.db2.gz WEWNFUXQMYODCN-STQMWFEESA-N 0 1 336.277 4.638 50 0 EJAAMN O=C(CSc1nc2ccc(Cl)cc2[nH]1)c1ccc(Cl)s1 ZINC000005827186 564056535 /nfs/dbraw/zinc/05/65/35/564056535.db2.gz HHWSGSQQCIZJHM-UHFFFAOYSA-N 0 1 343.260 4.906 50 0 EJAAMN Cc1ccc(NC(=O)[C@H](C)Sc2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000003501063 564059850 /nfs/dbraw/zinc/05/98/50/564059850.db2.gz YKURYWRVDBRMPS-NSHDSACASA-N 0 1 345.855 4.644 50 0 EJAAMN Cc1ccc(C(=O)Nc2cccc(CNCc3ccc(F)cc3)c2)cc1 ZINC000012747950 564065977 /nfs/dbraw/zinc/06/59/77/564065977.db2.gz FNAWCEKXTMKNKF-UHFFFAOYSA-N 0 1 348.421 4.676 50 0 EJAAMN Fc1ccc2nc(-c3ccc(-n4ccc(C(F)(F)F)n4)cc3)[nH]c2c1 ZINC000084419331 564068086 /nfs/dbraw/zinc/06/80/86/564068086.db2.gz NUPDDUPXBVGHDF-UHFFFAOYSA-N 0 1 346.287 4.574 50 0 EJAAMN c1ccc2c(c1)cccc2CNCc1cccnc1OC1CCCC1 ZINC000084598468 564068999 /nfs/dbraw/zinc/06/89/99/564068999.db2.gz VMIIOOIEPAAIFO-UHFFFAOYSA-N 0 1 332.447 4.846 50 0 EJAAMN CC(C)n1cc(C(=O)c2ccccc2O)cc1-c1nc2ccccc2o1 ZINC000012810182 564072578 /nfs/dbraw/zinc/07/25/78/564072578.db2.gz UAROSXNHSUKEMZ-UHFFFAOYSA-N 0 1 346.386 4.814 50 0 EJAAMN O=C(Nc1ccc2nc(CCc3ccccc3)[nH]c2c1)C1CCCCC1 ZINC000015863865 564077127 /nfs/dbraw/zinc/07/71/27/564077127.db2.gz UUDXODYIYKGAQE-UHFFFAOYSA-N 0 1 347.462 4.867 50 0 EJAAMN C[C@@H]1CCCCN1Cc1cc(F)cc2c1O[C@H](c1ccccc1)OC2 ZINC000016047204 564079454 /nfs/dbraw/zinc/07/94/54/564079454.db2.gz QPCFTGNGVCQFQN-QVKFZJNVSA-N 0 1 341.426 4.808 50 0 EJAAMN O[C@@H](c1ccccc1)[C@H](NCc1ccccc1Cl)c1ccccc1 ZINC000075283232 564081517 /nfs/dbraw/zinc/08/15/17/564081517.db2.gz QZLPISWAPZYBBS-RTWAWAEBSA-N 0 1 337.850 4.905 50 0 EJAAMN O[C@H](c1ccccc1)[C@@H](NCc1ccccc1Cl)c1ccccc1 ZINC000075283226 564081534 /nfs/dbraw/zinc/08/15/34/564081534.db2.gz QZLPISWAPZYBBS-LEWJYISDSA-N 0 1 337.850 4.905 50 0 EJAAMN CCCc1nc2ccc(CCC(=O)Nc3ccc(F)c(C)c3)cc2[nH]1 ZINC000075465701 564085999 /nfs/dbraw/zinc/08/59/99/564085999.db2.gz YJPLNSZETVIMJU-UHFFFAOYSA-N 0 1 339.414 4.534 50 0 EJAAMN Cc1cc(F)ccc1NC(=O)CCc1ccc2nc(C(C)C)[nH]c2c1 ZINC000075478754 564086605 /nfs/dbraw/zinc/08/66/05/564086605.db2.gz FVKRSMOBAGENGL-UHFFFAOYSA-N 0 1 339.414 4.705 50 0 EJAAMN CCn1c2ccccc2c(C)c1-c1cc(NC(=O)CCC(C)C)[nH]n1 ZINC000075558776 564089520 /nfs/dbraw/zinc/08/95/20/564089520.db2.gz AAZICGGALCQZNV-UHFFFAOYSA-N 0 1 338.455 4.734 50 0 EJAAMN C[C@H](N[C@@H](C[C@@H]1CCOC1)c1ccccc1)c1nc2ccccc2o1 ZINC000192746186 564093103 /nfs/dbraw/zinc/09/31/03/564093103.db2.gz HVDCYEUGZSLQNM-BXWFABGCSA-N 0 1 336.435 4.646 50 0 EJAAMN CC[C@H](c1nc(-c2ccc(N3CCCCC3)cc2)no1)N(CC)CC ZINC000170606785 564109631 /nfs/dbraw/zinc/10/96/31/564109631.db2.gz PLIUMSYUMWDKLM-GOSISDBHSA-N 0 1 342.487 4.520 50 0 EJAAMN C[C@@H](N[C@@H](C)c1ccc(Cl)cc1)C(=O)c1c[nH]c2ccccc12 ZINC000007538563 564109939 /nfs/dbraw/zinc/10/99/39/564109939.db2.gz QUXMBCQIXLQECP-QWHCGFSZSA-N 0 1 326.827 4.743 50 0 EJAAMN CCOc1cccc2cc([C@@H](C)N[C@H](C)c3cnc(C)nc3C)oc21 ZINC000095967182 564143030 /nfs/dbraw/zinc/14/30/30/564143030.db2.gz XYZVXJZMLQFPEP-TZMCWYRMSA-N 0 1 339.439 4.650 50 0 EJAAMN CC[C@H](N[C@@H](C)c1cnccn1)c1ccc(OC2CCCC2)cc1 ZINC000095967879 564143072 /nfs/dbraw/zinc/14/30/72/564143072.db2.gz JZVARWKCSFVUCT-KXBFYZLASA-N 0 1 325.456 4.600 50 0 EJAAMN Cc1ncsc1[C@@H](C)NCc1ccc(C)cc1OCC(F)(F)F ZINC000095969178 564143370 /nfs/dbraw/zinc/14/33/70/564143370.db2.gz WDJPNQVRLYVWGT-LLVKDONJSA-N 0 1 344.402 4.552 50 0 EJAAMN Cc1cc(C)cc(NC(=O)c2cc(-c3ccccc3Cl)n[nH]2)c1 ZINC000057412182 564154049 /nfs/dbraw/zinc/15/40/49/564154049.db2.gz AMYGLFYOBAWYHV-UHFFFAOYSA-N 0 1 325.799 4.599 50 0 EJAAMN Cc1cc(NC(=O)c2cc(-c3ccccc3Cl)n[nH]2)ccc1Cl ZINC000057412400 564154082 /nfs/dbraw/zinc/15/40/82/564154082.db2.gz VWNBOFILCVDTAN-UHFFFAOYSA-N 0 1 346.217 4.944 50 0 EJAAMN CN(C(=O)c1cc(-c2cccc(Cl)c2)n[nH]1)c1ccccc1Cl ZINC000057412725 564154182 /nfs/dbraw/zinc/15/41/82/564154182.db2.gz ILSOLXPJKOCNSZ-UHFFFAOYSA-N 0 1 346.217 4.660 50 0 EJAAMN CC(C)c1ccc(C[C@@H]2CC[N@@H+](Cc3cccc(C(=O)[O-])c3)C2)cc1 ZINC000263406890 564161504 /nfs/dbraw/zinc/16/15/04/564161504.db2.gz KEDMUYAYFSHYEK-IBGZPJMESA-N 0 1 337.463 4.573 50 0 EJAAMN CCOC(=O)c1oc2ccccc2c1CN(C)Cc1sccc1C ZINC000008132460 564163050 /nfs/dbraw/zinc/16/30/50/564163050.db2.gz NFKAMERJXJNINY-UHFFFAOYSA-N 0 1 343.448 4.611 50 0 EJAAMN COc1ccc(CNC(c2ccccc2)c2ccccc2)cc1OC ZINC000004657416 210240135 /nfs/dbraw/zinc/24/01/35/210240135.db2.gz DDBLNGFZDILXGT-UHFFFAOYSA-N 0 1 333.431 4.583 50 0 EJAAMN C[C@H](c1ccccn1)N(C)Cc1c(-c2ccccc2)nc2ccccn21 ZINC000067946918 215255412 /nfs/dbraw/zinc/25/54/12/215255412.db2.gz HUNZIKNYEFDPFT-QGZVFWFLSA-N 0 1 342.446 4.589 50 0 EJAAMN CN(CC(=O)Nc1c(Cl)cccc1Cl)[C@H]1CCc2ccccc21 ZINC000029483242 202188274 /nfs/dbraw/zinc/18/82/74/202188274.db2.gz LAJFWEOTBROKHK-INIZCTEOSA-N 0 1 349.261 4.551 50 0 EJAAMN CCCc1n[nH]c(-c2cccc(F)c2)c1NC(=O)c1ccccc1F ZINC000034795101 202277442 /nfs/dbraw/zinc/27/74/42/202277442.db2.gz MFEXNGXUPYXCLP-UHFFFAOYSA-N 0 1 341.361 4.560 50 0 EJAAMN COc1ccc(-c2c(=O)oc3cc(O)ccc3c2-c2ccccc2)cc1 ZINC000000058061 209392727 /nfs/dbraw/zinc/39/27/27/209392727.db2.gz RUNKFNRKRKBFRU-UHFFFAOYSA-N 0 1 344.366 4.841 50 0 biogenic,in-vitro EJAAMN CC(C)c1cccc(C(C)C)c1OCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000022385606 212294103 /nfs/dbraw/zinc/29/41/03/212294103.db2.gz BQORZYXEEBAHHD-ROUUACIJSA-N 0 1 333.516 4.812 50 0 EJAAMN Cc1ccc([C@H]2NCc3c4c(sc3-n3cccc32)CCCC4)cc1 ZINC000020864932 212178109 /nfs/dbraw/zinc/17/81/09/212178109.db2.gz XTTROIVPHBPSFF-HXUWFJFHSA-N 0 1 334.488 4.919 50 0 EJAAMN Cc1ccc([C@@H]2NCc3c4c(sc3-n3cccc32)CCCC4)cc1 ZINC000020864928 212178158 /nfs/dbraw/zinc/17/81/58/212178158.db2.gz XTTROIVPHBPSFF-FQEVSTJZSA-N 0 1 334.488 4.919 50 0 EJAAMN C(=C/c1ccccc1)\CN1CCN(Cc2ccc3ccccc3c2)CC1 ZINC000019536879 212038969 /nfs/dbraw/zinc/03/89/69/212038969.db2.gz NJIYUFSFOSQQRR-RMKNXTFCSA-N 0 1 342.486 4.671 50 0 EJAAMN Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@H]2NCc1ccoc1 ZINC000012314748 211343255 /nfs/dbraw/zinc/34/32/55/211343255.db2.gz XKNKQPNSLOWIGH-GOSISDBHSA-N 0 1 335.451 4.577 50 0 EJAAMN C[C@H](N[C@H](c1ccccc1)C1CCCCC1)c1nnc2ccccn21 ZINC000095350756 218284903 /nfs/dbraw/zinc/28/49/03/218284903.db2.gz XMNOPTVIEGMIKN-OXJNMPFZSA-N 0 1 334.467 4.702 50 0 EJAAMN C[C@H](c1ccccn1)N(Cc1ccc(Br)cc1)C1CC1 ZINC000095369318 218301595 /nfs/dbraw/zinc/30/15/95/218301595.db2.gz KGQMQRNMKKYVHB-CYBMUJFWSA-N 0 1 331.257 4.570 50 0 EJAAMN c1nc(C2CCC2)sc1CN[C@H](c1ccccn1)C1CCCC1 ZINC000095415530 218354061 /nfs/dbraw/zinc/35/40/61/218354061.db2.gz BZDLCPSUGFCRBN-SFHVURJKSA-N 0 1 327.497 4.827 50 0 EJAAMN Fc1cccc(CN(Cc2cnoc2-c2cccs2)C2CC2)c1 ZINC000095437978 218381403 /nfs/dbraw/zinc/38/14/03/218381403.db2.gz BJEUUCWTVJKXKD-UHFFFAOYSA-N 0 1 328.412 4.707 50 0 EJAAMN Clc1ccc2nc(SCc3nnc(-c4cccs4)o3)[nH]c2c1 ZINC000006650309 210669395 /nfs/dbraw/zinc/66/93/95/210669395.db2.gz WUKMSNANXPJXDC-UHFFFAOYSA-N 0 1 348.840 4.620 50 0 EJAAMN Clc1ccc(COc2ccccc2CNCc2cccnc2)cc1 ZINC000000119163 258047451 /nfs/dbraw/zinc/04/74/51/258047451.db2.gz HQYYPEABZCQIEL-UHFFFAOYSA-N 0 1 338.838 4.604 50 0 EJAAMN Cc1ccc2nc(SCC(=O)Nc3cccc(Cl)c3C)[nH]c2c1 ZINC000000097942 563224579 /nfs/dbraw/zinc/22/45/79/563224579.db2.gz DDJOWMRBXMMJQT-UHFFFAOYSA-N 0 1 345.855 4.564 50 0 EJAAMN C[C@@H]1Oc2ccccc2OC1C(=O)N(c1ccccc1)c1ccccc1 ZINC000000468688 563330098 /nfs/dbraw/zinc/33/00/98/563330098.db2.gz UFUHJAURAOIODI-HRAATJIYSA-N 0 1 345.398 4.580 50 0 EJAAMN O=C(c1ccc(CN2CC=CC2)cc1)c1cc(Cl)ccc1Cl ZINC000002514919 563435853 /nfs/dbraw/zinc/43/58/53/563435853.db2.gz ZFJYXOIBQKPAFO-UHFFFAOYSA-N 0 1 332.230 4.596 50 0 EJAAMN O=C(c1cccc(CN2CCCCC2)c1)c1ccc(Cl)cc1F ZINC000002515028 563435931 /nfs/dbraw/zinc/43/59/31/563435931.db2.gz IMZHBYDGMVKPID-UHFFFAOYSA-N 0 1 331.818 4.696 50 0 EJAAMN Clc1cc(Cl)cc(-c2ccc(CNCc3cccnc3)o2)c1 ZINC000004841640 563513004 /nfs/dbraw/zinc/51/30/04/563513004.db2.gz ROIYIADUYHIIPY-UHFFFAOYSA-N 0 1 333.218 4.938 50 0 EJAAMN Clc1ccc(OCc2ccccc2)c(CNCc2ccncc2)c1 ZINC000006671746 563577901 /nfs/dbraw/zinc/57/79/01/563577901.db2.gz XBRIEMZWSDCAKE-UHFFFAOYSA-N 0 1 338.838 4.604 50 0 EJAAMN Clc1ccc(-c2ccc(CNCc3ccc4c(c3)OCO4)o2)cc1 ZINC000007524614 563604419 /nfs/dbraw/zinc/60/44/19/563604419.db2.gz PQULFIHSHUVYQQ-UHFFFAOYSA-N 0 1 341.794 4.619 50 0 EJAAMN COc1ccc(CNCc2ccccc2OCc2ccccc2)cc1 ZINC000007538266 563605205 /nfs/dbraw/zinc/60/52/05/563605205.db2.gz QLULBCVHKRIKSZ-UHFFFAOYSA-N 0 1 333.431 4.564 50 0 EJAAMN Cc1ccc2nc(SCC(=O)Nc3cccc4ccccc43)[nH]c2c1 ZINC000018219793 563851289 /nfs/dbraw/zinc/85/12/89/563851289.db2.gz MTZLJGQYWBFKHH-UHFFFAOYSA-N 0 1 347.443 4.755 50 0 EJAAMN c1coc(-c2[nH]nc(-c3ccccc3)c2-c2nc3ccccc3[nH]2)c1 ZINC000027788988 563899554 /nfs/dbraw/zinc/89/95/54/563899554.db2.gz KBOLTIVCYMXDOH-UHFFFAOYSA-N 0 1 326.359 4.880 50 0 EJAAMN Cc1ccc(OCCSc2nc(-c3ccc(Cl)cc3)n[nH]2)cc1 ZINC000028807317 563904103 /nfs/dbraw/zinc/90/41/03/563904103.db2.gz DOEXERZZSDMMRT-UHFFFAOYSA-N 0 1 345.855 4.605 50 0 EJAAMN C[C@@H](c1nc(-c2ccccc2)no1)N1CCC(Cc2ccccc2)CC1 ZINC000058271508 563941379 /nfs/dbraw/zinc/94/13/79/563941379.db2.gz TWTUHIFZBBKXRM-KRWDZBQOSA-N 0 1 347.462 4.752 50 0 EJAAMN FC(F)(F)c1cccc(CN2CCC(OCc3ccccc3)CC2)c1 ZINC000058452548 563946562 /nfs/dbraw/zinc/94/65/62/563946562.db2.gz UNDPIYVEIDRRPK-UHFFFAOYSA-N 0 1 349.396 4.887 50 0 EJAAMN Cc1ccc(-c2cc(O)c3c(c2)CN(C2CCCC2)CCO3)s1 ZINC000067692506 563962517 /nfs/dbraw/zinc/96/25/17/563962517.db2.gz JBZZNBJPKFUGFU-UHFFFAOYSA-N 0 1 329.465 4.566 50 0 EJAAMN CN(Cc1cc(-c2cccnc2)no1)Cc1cccc(-c2ccco2)c1 ZINC000077518160 563970177 /nfs/dbraw/zinc/97/01/77/563970177.db2.gz UOQKUILDFCMDCR-UHFFFAOYSA-N 0 1 345.402 4.629 50 0 EJAAMN Cc1ccc2nc([C@@H]3CCCN3C(=O)c3coc4ccccc34)[nH]c2c1 ZINC000077564231 563970319 /nfs/dbraw/zinc/97/03/19/563970319.db2.gz KTZZBRNMQKQKRA-SFHVURJKSA-N 0 1 345.402 4.595 50 0 EJAAMN COc1ccccc1CNCc1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC000060970907 563992196 /nfs/dbraw/zinc/99/21/96/563992196.db2.gz BGOWYAZHSVOXID-UHFFFAOYSA-N 0 1 345.442 4.587 50 0 EJAAMN COc1ccc2nc(C)cc(Nc3cc(Cl)ccc3OC)c2c1 ZINC000000459639 564000628 /nfs/dbraw/zinc/00/06/28/564000628.db2.gz VKXBVMGKYBJYOJ-UHFFFAOYSA-N 0 1 328.799 4.957 50 0 EJAAMN C[C@@H](Nc1ccc(N2CCCCCC2)cc1)c1nc(C2CC2)no1 ZINC000078624361 564000909 /nfs/dbraw/zinc/00/09/09/564000909.db2.gz DNPZCRUDIPQSES-CQSZACIVSA-N 0 1 326.444 4.501 50 0 EJAAMN COc1ccc([C@H]2CCCN2Cc2nc(-c3ccccc3)oc2C)cc1 ZINC000048261327 564030319 /nfs/dbraw/zinc/03/03/19/564030319.db2.gz YCLNOYJOBBHCIB-OAQYLSRUSA-N 0 1 348.446 4.996 50 0 EJAAMN Cc1ccc(C)c(NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)c1 ZINC000040478253 564048551 /nfs/dbraw/zinc/04/85/51/564048551.db2.gz JGRYRGDEVYERGJ-UHFFFAOYSA-N 0 1 325.799 4.599 50 0 EJAAMN Cc1ccc(Cl)cc1NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000040478281 564048576 /nfs/dbraw/zinc/04/85/76/564048576.db2.gz LESLCQQEFGLUCJ-UHFFFAOYSA-N 0 1 346.217 4.944 50 0 EJAAMN OCCCN(Cc1cccc(F)c1)Cc1ccc(Cl)c(Cl)c1 ZINC000078583680 564062079 /nfs/dbraw/zinc/06/20/79/564062079.db2.gz LDQSLPCIOPVMFI-UHFFFAOYSA-N 0 1 342.241 4.517 50 0 EJAAMN Cc1cccc(N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)c1C ZINC000001227451 564060216 /nfs/dbraw/zinc/06/02/16/564060216.db2.gz BXEMRINTFXLYAF-UHFFFAOYSA-N 0 1 348.412 4.644 50 0 EJAAMN O=c1c(-c2cccc(Cl)c2)c[nH]n1-c1cccc(C(F)(F)F)c1 ZINC000001400713 564064958 /nfs/dbraw/zinc/06/49/58/564064958.db2.gz PBEMXBIJVNPFDL-UHFFFAOYSA-N 0 1 338.716 4.505 50 0 EJAAMN CCOc1ccc(CN2CCC[C@@H]2c2cccc(F)c2)cc1OC ZINC000015837293 564076496 /nfs/dbraw/zinc/07/64/96/564076496.db2.gz VVLPGXSZQGKQGR-GOSISDBHSA-N 0 1 329.415 4.570 50 0 EJAAMN Cc1ccc(NC(=O)[C@H](C)N(C)Cc2ccc3ccccc3c2)c(C)c1 ZINC000012910306 564077921 /nfs/dbraw/zinc/07/79/21/564077921.db2.gz GIKBZVGTBMZLFG-SFHVURJKSA-N 0 1 346.474 4.916 50 0 EJAAMN CC(C)C[C@H](C(=O)Nc1ccc2nc(C(C)C)[nH]c2c1)n1cccc1 ZINC000253406987 564087023 /nfs/dbraw/zinc/08/70/23/564087023.db2.gz JKXPWDWUHQNTSR-GOSISDBHSA-N 0 1 338.455 4.714 50 0 EJAAMN C[C@H](N[C@@H](CO)c1ccc(Cl)c(F)c1)c1ccc(Cl)cc1 ZINC000092769332 564089102 /nfs/dbraw/zinc/08/91/02/564089102.db2.gz IAUZZTXZEUXUMU-QFYYESIMSA-N 0 1 328.214 4.517 50 0 EJAAMN Cc1ccccc1-c1c(-c2ccc(O)c(C)c2O)[nH]nc1C(F)(F)F ZINC000005728689 564093291 /nfs/dbraw/zinc/09/32/91/564093291.db2.gz FHSYJXOWJGGOOK-UHFFFAOYSA-N 0 1 348.324 4.791 50 0 EJAAMN Cc1n[nH]c(C2CC2)c1-c1ccccc1C(=O)N(C(C)C)C(C)C ZINC000426701446 564094435 /nfs/dbraw/zinc/09/44/35/564094435.db2.gz PHYJHFNLQBEBDU-UHFFFAOYSA-N 0 1 325.456 4.522 50 0 EJAAMN Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)N2CCC(C)CC2)c1 ZINC000007389222 564107591 /nfs/dbraw/zinc/10/75/91/564107591.db2.gz GNGUTLBKOLBDQP-OAQYLSRUSA-N 0 1 336.479 4.715 50 0 EJAAMN CC[C@@H](c1nc(-c2ccc(N3CCCCC3)cc2)no1)N(CC)CC ZINC000170606784 564109638 /nfs/dbraw/zinc/10/96/38/564109638.db2.gz PLIUMSYUMWDKLM-SFHVURJKSA-N 0 1 342.487 4.520 50 0 EJAAMN CCc1c(C)nc2c(-c3ccccc3)c(C)nn2c1Nc1ccncc1 ZINC000002205320 564121125 /nfs/dbraw/zinc/12/11/25/564121125.db2.gz PLCDYVYJCIMUCT-UHFFFAOYSA-N 0 1 343.434 4.714 50 0 EJAAMN Clc1ccc(OCCCSc2nc(-c3ccccc3)n[nH]2)cc1 ZINC000007833373 564124140 /nfs/dbraw/zinc/12/41/40/564124140.db2.gz PDGQKJVTDMVMRO-UHFFFAOYSA-N 0 1 345.855 4.686 50 0 EJAAMN COc1cccc(-c2nc3ccccc3c(Oc3ccccc3)n2)c1O ZINC000002238485 564125243 /nfs/dbraw/zinc/12/52/43/564125243.db2.gz BIIQSTIETGXTSV-UHFFFAOYSA-N 0 1 344.370 4.803 50 0 EJAAMN Oc1ccccc1-c1nc2ccccc2c(NCc2ccccc2)n1 ZINC000095545593 564141742 /nfs/dbraw/zinc/14/17/42/564141742.db2.gz CYYDOMYWIALWEL-UHFFFAOYSA-N 0 1 327.387 4.615 50 0 EJAAMN O=C(Nc1ccc(Cl)cc1)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000057412302 564154047 /nfs/dbraw/zinc/15/40/47/564154047.db2.gz NBLYEVRLYMWBOO-UHFFFAOYSA-N 0 1 332.190 4.636 50 0 EJAAMN Cc1ccc(NC(=O)c2cc(-c3ccccc3Cl)n[nH]2)cc1Cl ZINC000057412370 564154077 /nfs/dbraw/zinc/15/40/77/564154077.db2.gz GJAGPOLBYLEZBW-UHFFFAOYSA-N 0 1 346.217 4.944 50 0 EJAAMN Cc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3Cl)[nH]n2)cc1 ZINC000057477045 564154428 /nfs/dbraw/zinc/15/44/28/564154428.db2.gz BKGQNKTUAXGDDO-UHFFFAOYSA-N 0 1 346.217 4.944 50 0 EJAAMN O=C(Nc1ccccc1)[C@@H](Nc1nc2ccccc2o1)c1ccccc1 ZINC000054389250 214235758 /nfs/dbraw/zinc/23/57/58/214235758.db2.gz OUBSQMSEZQNEAP-IBGZPJMESA-N 0 1 343.386 4.620 50 0 EJAAMN O=C(CNCc1ccccc1)N1c2ccccc2C=Cc2ccccc21 ZINC000054956563 214261268 /nfs/dbraw/zinc/26/12/68/214261268.db2.gz BHQGHPSHSGEJMA-UHFFFAOYSA-N 0 1 340.426 4.625 50 0 EJAAMN CC[C@H](NCc1cnc(-c2cccc(C)c2)nc1)c1ccc(F)cc1 ZINC000055088028 214270327 /nfs/dbraw/zinc/27/03/27/214270327.db2.gz JZZIOSHUBLGTQI-FQEVSTJZSA-N 0 1 335.426 4.832 50 0 EJAAMN Cc1ccccc1-c1cc(-c2nc(-c3ccccc3Cl)no2)[nH]n1 ZINC000046914352 213817289 /nfs/dbraw/zinc/81/72/89/213817289.db2.gz YVWMGDDEFHGXPR-UHFFFAOYSA-N 0 1 336.782 4.756 50 0 EJAAMN Cc1cccc(C)c1NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000040478254 213314472 /nfs/dbraw/zinc/31/44/72/213314472.db2.gz GPEMVHZNQCUPJS-UHFFFAOYSA-N 0 1 325.799 4.599 50 0 EJAAMN CCCCc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)cc1 ZINC000040478320 213314000 /nfs/dbraw/zinc/31/40/00/213314000.db2.gz AKYGWWUHBQRTHT-UHFFFAOYSA-N 0 1 337.398 4.811 50 0 EJAAMN c1coc(-c2nc(CSc3nc(-c4cccs4)n[nH]3)cs2)c1 ZINC000022517800 202086994 /nfs/dbraw/zinc/08/69/94/202086994.db2.gz VVBICANTZDDADI-UHFFFAOYSA-N 0 1 346.462 4.542 50 0 EJAAMN Cc1ccc(C)c(NC(=O)c2cc(-c3cccc(Cl)c3)n[nH]2)c1 ZINC000024958402 202123670 /nfs/dbraw/zinc/12/36/70/202123670.db2.gz SQQAURMMQTUBOU-UHFFFAOYSA-N 0 1 325.799 4.599 50 0 EJAAMN COc1ccc([C@@H]2CCCN2[C@H](C)C(=O)c2c[nH]c3ccccc32)cc1 ZINC000036408775 213098301 /nfs/dbraw/zinc/09/83/01/213098301.db2.gz PBWZGCKMUODASB-VFNWGFHPSA-N 0 1 348.446 4.585 50 0 EJAAMN Cc1ccccc1[C@@H]1c2cccn2CCCN1Cc1cccc(F)c1 ZINC000036348307 213086513 /nfs/dbraw/zinc/08/65/13/213086513.db2.gz FFAXIXFRRMLXMB-JOCHJYFZSA-N 0 1 334.438 4.931 50 0 EJAAMN Cc1ccc(-c2noc(-c3cc(-c4ccc(C)c(C)c4)n[nH]3)n2)cc1 ZINC000035504173 213033178 /nfs/dbraw/zinc/03/31/78/213033178.db2.gz CYAAOMMRYMWKPM-UHFFFAOYSA-N 0 1 330.391 4.719 50 0 EJAAMN Cc1ccc(CNCc2cn(-c3ccccc3)nc2-c2ccccc2)o1 ZINC000032740433 202232249 /nfs/dbraw/zinc/23/22/49/202232249.db2.gz FTLSQZGNONZUMH-UHFFFAOYSA-N 0 1 343.430 4.731 50 0 EJAAMN Cc1ccc(-c2noc(CN(Cc3ccccc3)[C@H](C)C3CC3)n2)cc1 ZINC000032819979 202236587 /nfs/dbraw/zinc/23/65/87/202236587.db2.gz KWDJJXUHNVWVPE-QGZVFWFLSA-N 0 1 347.462 4.846 50 0 EJAAMN CCc1nc2ccc(CCC(=O)Nc3ccc(C)c(Cl)c3)cc2[nH]1 ZINC000033169582 202251593 /nfs/dbraw/zinc/25/15/93/202251593.db2.gz DWIODDZNTBUMFH-UHFFFAOYSA-N 0 1 341.842 4.658 50 0 EJAAMN Cc1ccccc1[C@@H]1c2cccn2CCCN1Cc1ccccc1F ZINC000036348301 202321248 /nfs/dbraw/zinc/32/12/48/202321248.db2.gz HXKPTQQHXDSKCO-JOCHJYFZSA-N 0 1 334.438 4.931 50 0 EJAAMN Cc1ccc([C@@H]2c3cccn3CCCN2Cc2ccc(F)cc2)cc1 ZINC000036347244 202322172 /nfs/dbraw/zinc/32/21/72/202322172.db2.gz GYVRUFQUHMBACU-JOCHJYFZSA-N 0 1 334.438 4.931 50 0 EJAAMN CCCN(CC)C(=O)c1ccc(-c2cc(-c3ccccc3)[nH]n2)cc1 ZINC000022646502 212314283 /nfs/dbraw/zinc/31/42/83/212314283.db2.gz AOGLWGKOGBUWQQ-UHFFFAOYSA-N 0 1 333.435 4.616 50 0 EJAAMN Fc1ccc(-c2n[nH]cc2CN2CCC[C@@H]2c2cccc(F)c2)cc1 ZINC000021791652 212250034 /nfs/dbraw/zinc/25/00/34/212250034.db2.gz DLKZMTFJPGPGSG-LJQANCHMSA-N 0 1 339.389 4.692 50 0 EJAAMN COc1ccc(CN[C@H](C)c2ccc(Cl)c(Cl)c2)cc1O ZINC000021021045 212200571 /nfs/dbraw/zinc/20/05/71/212200571.db2.gz GZBFVTXYOMABGN-SNVBAGLBSA-N 0 1 326.223 4.558 50 0 EJAAMN COc1ccc(-c2nc(CN3CCCC[C@H]3C)c(C)o2)c(C)c1C ZINC000020997583 212196859 /nfs/dbraw/zinc/19/68/59/212196859.db2.gz JOIIMOAUGRADGC-CYBMUJFWSA-N 0 1 328.456 4.650 50 0 EJAAMN C[C@@H]1[C@H](O)C[C@@H](c2ccc(Cl)cc2)N[C@@H]1c1ccc(Cl)cc1 ZINC000020806550 212173720 /nfs/dbraw/zinc/17/37/20/212173720.db2.gz BPCLELONGIWKCR-KJGCIYADSA-N 0 1 336.262 4.766 50 0 EJAAMN COc1ccccc1[C@H](C)N(C)Cc1c[nH]nc1-c1ccc(C)c(C)c1 ZINC000015064906 211794030 /nfs/dbraw/zinc/79/40/30/211794030.db2.gz WAODTHSAZFHTQQ-KRWDZBQOSA-N 0 1 349.478 4.895 50 0 EJAAMN Clc1ccc(-c2noc(-c3cc(-c4cccs4)n[nH]3)n2)cc1 ZINC000009002120 211030078 /nfs/dbraw/zinc/03/00/78/211030078.db2.gz LHOVQFTWIFGOGI-UHFFFAOYSA-N 0 1 328.784 4.509 50 0 EJAAMN COc1cccc2cc([C@H](C)N[C@H](C)c3cnn(C(C)C)c3)oc21 ZINC000095419643 218359520 /nfs/dbraw/zinc/35/95/20/218359520.db2.gz UZSGHLDVSSPDNI-KGLIPLIRSA-N 0 1 327.428 4.631 50 0 EJAAMN COc1ccc(CNCc2ccc(-c3cccc(Cl)c3)o2)cc1 ZINC000007538644 210812146 /nfs/dbraw/zinc/81/21/46/210812146.db2.gz CHFZHMPWWFJIDG-UHFFFAOYSA-N 0 1 327.811 4.898 50 0 EJAAMN COc1ccc(Cl)cc1-c1n[nH]c(S[C@H](C)c2ccccc2)n1 ZINC000006463779 210637033 /nfs/dbraw/zinc/63/70/33/210637033.db2.gz HFSJCDWHINZYSJ-LLVKDONJSA-N 0 1 345.855 4.987 50 0 EJAAMN Cc1ccc(-c2cc(C(=O)N3CCCCC[C@@H]3c3ccco3)n[nH]2)cc1 ZINC000097578451 219036310 /nfs/dbraw/zinc/03/63/10/219036310.db2.gz YBEANHCNBLKQIL-LJQANCHMSA-N 0 1 349.434 4.736 50 0 EJAAMN Cc1[nH]n(-c2ccccc2)c(=O)c1Cc1c(Cl)cccc1Cl ZINC000000088724 563221546 /nfs/dbraw/zinc/22/15/46/563221546.db2.gz FORCNTSOYUUEBC-UHFFFAOYSA-N 0 1 333.218 4.784 50 0 EJAAMN Cc1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1 ZINC000000153367 563246714 /nfs/dbraw/zinc/24/67/14/563246714.db2.gz ISPPZKXCELSYHG-UHFFFAOYSA-N 0 1 339.416 4.588 50 0 EJAAMN Cc1ccc(C(=O)[C@@H](c2ccccc2)N2Cc3ccccc3C2=N)cc1 ZINC000000178323 563253422 /nfs/dbraw/zinc/25/34/22/563253422.db2.gz YBBRQBNEGMHXRA-OAQYLSRUSA-N 0 1 340.426 4.760 50 0 EJAAMN CCOc1ccccc1N1CCN(Cc2ccc(C(C)C)cc2)CC1 ZINC000000282759 563272294 /nfs/dbraw/zinc/27/22/94/563272294.db2.gz BLOBVCBMMRAYAW-UHFFFAOYSA-N 0 1 338.495 4.531 50 0 EJAAMN O=C(c1ccc(CN2CC=CC2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000002514921 563435924 /nfs/dbraw/zinc/43/59/24/563435924.db2.gz LTEDXXFBYSRTBS-UHFFFAOYSA-N 0 1 332.230 4.596 50 0 EJAAMN O=C(c1ccc(C(F)(F)F)cc1)c1ccccc1CN1CCCC1 ZINC000002515575 563437141 /nfs/dbraw/zinc/43/71/41/563437141.db2.gz ANCOURQSNRSBFP-UHFFFAOYSA-N 0 1 333.353 4.532 50 0 EJAAMN CCc1n[nH]c(-c2cccc(Cl)c2)c1NC(=O)CC1CCCC1 ZINC000034794681 563479590 /nfs/dbraw/zinc/47/95/90/563479590.db2.gz KQJQNEJFVWGYTG-UHFFFAOYSA-N 0 1 331.847 4.811 50 0 EJAAMN CCCc1n[nH]c(-c2cccc(F)c2)c1NC(=O)c1ccc(F)cc1 ZINC000034795076 563480009 /nfs/dbraw/zinc/48/00/09/563480009.db2.gz RCFTVKXIZSNACF-UHFFFAOYSA-N 0 1 341.361 4.560 50 0 EJAAMN CC(C)C(=O)Nc1c(C2CC2)n[nH]c1-c1ccc(C(C)(C)C)cc1 ZINC000034795810 563480367 /nfs/dbraw/zinc/48/03/67/563480367.db2.gz BVYNGNXTJYLGMN-UHFFFAOYSA-N 0 1 325.456 4.846 50 0 EJAAMN CCc1n[nH]c(-c2cccc(F)c2)c1NC(=O)Nc1ccccc1F ZINC000034796641 563480648 /nfs/dbraw/zinc/48/06/48/563480648.db2.gz DPIXHFYAUSGHLK-UHFFFAOYSA-N 0 1 342.349 4.561 50 0 EJAAMN CC(C)c1n[nH]c(-c2ccc(F)cc2)c1NC(=O)Cc1ccccc1 ZINC000034796429 563480667 /nfs/dbraw/zinc/48/06/67/563480667.db2.gz XFCGTWSNEZIVRP-UHFFFAOYSA-N 0 1 337.398 4.520 50 0 EJAAMN O=C(Nc1c(-c2ccccc2)n[nH]c1-c1ccco1)c1ccc(F)cc1 ZINC000034796893 563481204 /nfs/dbraw/zinc/48/12/04/563481204.db2.gz QTEBBDPZCDOSIM-UHFFFAOYSA-N 0 1 347.349 4.728 50 0 EJAAMN Cc1ccccc1-c1c(=O)c2ccc(O)c(C)c2oc1C(F)(F)F ZINC000005730810 563547600 /nfs/dbraw/zinc/54/76/00/563547600.db2.gz QFAARRNOSOYPBS-UHFFFAOYSA-N 0 1 334.293 4.801 50 0 biogenic EJAAMN Clc1cccc(-c2ccc(CNCc3ccc4c(c3)OCO4)o2)c1 ZINC000007524836 563604289 /nfs/dbraw/zinc/60/42/89/563604289.db2.gz TYGPYKZFMXGYBM-UHFFFAOYSA-N 0 1 341.794 4.619 50 0 EJAAMN Nc1ccc(-c2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)cc1 ZINC000008536493 563631894 /nfs/dbraw/zinc/63/18/94/563631894.db2.gz KVIYSVXFZOEINO-UHFFFAOYSA-N 0 1 330.366 4.527 50 0 in-vitro EJAAMN FC(F)(F)c1cccc(-c2ccc(CNCc3cccnc3)o2)c1 ZINC000010315373 563646950 /nfs/dbraw/zinc/64/69/50/563646950.db2.gz XMHOPRIBBXBCIE-UHFFFAOYSA-N 0 1 332.325 4.650 50 0 EJAAMN CSc1cccc(CN[C@@H](C)c2cnn(-c3ccccc3)c2C)c1 ZINC000012571154 563663371 /nfs/dbraw/zinc/66/33/71/563663371.db2.gz JYBAZRABEHGDJE-HNNXBMFYSA-N 0 1 337.492 4.753 50 0 EJAAMN Cc1cccc(-c2nc(C(C)(C)C)[nH]c2-c2ccc3nccnc3c2)n1 ZINC000013980772 563734329 /nfs/dbraw/zinc/73/43/29/563734329.db2.gz DKPQHFZUICCZHF-UHFFFAOYSA-N 0 1 343.434 4.688 50 0 in-vivo EJAAMN O=C(c1c[nH]c2ccccc12)[C@@H](NCCc1ccco1)c1ccccc1 ZINC000014199147 563749762 /nfs/dbraw/zinc/74/97/62/563749762.db2.gz ARLUJHUOHHKIOC-NRFANRHFSA-N 0 1 344.414 4.517 50 0 EJAAMN COc1ccc(C(C)=O)cc1CN(C)CC12CC3CC(CC(C3)C1)C2 ZINC000016439005 563811357 /nfs/dbraw/zinc/81/13/57/563811357.db2.gz JNOHKBALKQJYFU-UHFFFAOYSA-N 0 1 341.495 4.546 50 0 EJAAMN Clc1ccccc1N1CCN(Cc2cccc3ccccc32)CC1 ZINC000019537628 563856302 /nfs/dbraw/zinc/85/63/02/563856302.db2.gz PWPSWWLYGOCHNA-UHFFFAOYSA-N 0 1 336.866 4.815 50 0 EJAAMN c1ccc2oc(CN3CCC[C@@H](c4nc5ccccc5s4)C3)nc2c1 ZINC000023989917 563867856 /nfs/dbraw/zinc/86/78/56/563867856.db2.gz ZIZIXFSOLVCOOO-CQSZACIVSA-N 0 1 349.459 4.817 50 0 EJAAMN Cc1cc(C)c(NC(=O)CN(C)[C@@H]2CCc3ccccc32)c(Cl)c1 ZINC000029484425 563906772 /nfs/dbraw/zinc/90/67/72/563906772.db2.gz MAWRXXWLIFNTLF-GOSISDBHSA-N 0 1 342.870 4.515 50 0 EJAAMN COc1cccc(CN2CCCCC[C@@H]2c2cccc(F)c2)c1OC ZINC000033087264 563915115 /nfs/dbraw/zinc/91/51/15/563915115.db2.gz QMMIBYHLGODFQZ-LJQANCHMSA-N 0 1 343.442 4.960 50 0 EJAAMN CC(C)CN(Cc1ccc([C@H]2CCCCO2)o1)Cc1ccccn1 ZINC000055133904 563933748 /nfs/dbraw/zinc/93/37/48/563933748.db2.gz RJHSFFBHPAKFQP-LJQANCHMSA-N 0 1 328.456 4.574 50 0 EJAAMN CCCCOc1ccc(CN2CCC[C@@H]2c2cc(CC)no2)cc1 ZINC000064984394 563957444 /nfs/dbraw/zinc/95/74/44/563957444.db2.gz GKDRWZLUJJFZSU-LJQANCHMSA-N 0 1 328.456 4.753 50 0 EJAAMN Cc1c2cc(C)ccc2oc1-c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000077406685 563969468 /nfs/dbraw/zinc/96/94/68/563969468.db2.gz VKSJAHNSCBCXIE-UHFFFAOYSA-N 0 1 330.347 4.643 50 0 EJAAMN C[N@@H+](C[C@@H](O)c1ccccc1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000247945702 563994823 /nfs/dbraw/zinc/99/48/23/563994823.db2.gz AZLVFMJMZBMGFL-FGZHOGPDSA-N 0 1 335.422 4.581 50 0 EJAAMN O=C(CN1CCCCCC1)N1c2ccccc2C=Cc2ccccc21 ZINC000000027741 563999703 /nfs/dbraw/zinc/99/97/03/563999703.db2.gz IHTGWHZTCSJXTB-UHFFFAOYSA-N 0 1 332.447 4.711 50 0 EJAAMN COc1ccc(Cl)cc1-c1n[nH]c(SCc2ccccc2F)n1 ZINC000006464077 564024984 /nfs/dbraw/zinc/02/49/84/564024984.db2.gz YNROMHSJMPVENU-UHFFFAOYSA-N 0 1 349.818 4.565 50 0 EJAAMN Cc1ccc(C)c(-c2cc(-c3nc(-c4ccc(F)cc4)no3)[nH]n2)c1 ZINC000046914302 564025545 /nfs/dbraw/zinc/02/55/45/564025545.db2.gz CSNJKSXZKKOHMF-UHFFFAOYSA-N 0 1 334.354 4.550 50 0 EJAAMN Cc1ccc(-c2cc(-c3nc(-c4ccc(F)cc4)no3)[nH]n2)cc1C ZINC000046914248 564025556 /nfs/dbraw/zinc/02/55/56/564025556.db2.gz YPFBVLWSFWUVNN-UHFFFAOYSA-N 0 1 334.354 4.550 50 0 EJAAMN Cc1ccccc1-c1cc(-c2nc(-c3ccc(Cl)cc3)no2)[nH]n1 ZINC000046914365 564025574 /nfs/dbraw/zinc/02/55/74/564025574.db2.gz ZIDKMAHOFNAFFL-UHFFFAOYSA-N 0 1 336.782 4.756 50 0 EJAAMN Fc1ccc(C[C@H]2CCCN2Cc2coc(-c3cccs3)n2)cc1 ZINC000048309184 564030745 /nfs/dbraw/zinc/03/07/45/564030745.db2.gz ODFVIDSXLFGYLT-QGZVFWFLSA-N 0 1 342.439 4.749 50 0 EJAAMN Cc1ccc2nc(-c3ccc(C)c(NC(=O)c4ccco4)c3)[nH]c2c1 ZINC000033328632 564036691 /nfs/dbraw/zinc/03/66/91/564036691.db2.gz FNMTVFUYAVKZPF-UHFFFAOYSA-N 0 1 331.375 4.692 50 0 EJAAMN COc1ccc2cc(CN[C@@H](C)c3ccc(F)cc3F)ccc2c1 ZINC000025363181 564054254 /nfs/dbraw/zinc/05/42/54/564054254.db2.gz LJHDWMWAFUIVCN-ZDUSSCGKSA-N 0 1 327.374 4.977 50 0 EJAAMN COc1ccc2cc(CN[C@H](C)c3ccc(F)cc3F)ccc2c1 ZINC000025363185 564054264 /nfs/dbraw/zinc/05/42/64/564054264.db2.gz LJHDWMWAFUIVCN-CYBMUJFWSA-N 0 1 327.374 4.977 50 0 EJAAMN C[C@H](c1nc2cc(Cl)ccc2n1Cc1ccccc1)N1CCCC1 ZINC000012520390 564058099 /nfs/dbraw/zinc/05/80/99/564058099.db2.gz CUFMAJNGORLFDW-OAHLLOKOSA-N 0 1 339.870 4.895 50 0 EJAAMN Cc1ccc(-c2n[nH]c(SCc3csc(C(C)C)n3)n2)cc1 ZINC000084171699 564067123 /nfs/dbraw/zinc/06/71/23/564067123.db2.gz CWSIAOLDOIGPJT-UHFFFAOYSA-N 0 1 330.482 4.652 50 0 EJAAMN c1c(-c2ccc3ccccc3c2)n[nH]c1-c1nc(-c2ccccc2)no1 ZINC000015732371 564072741 /nfs/dbraw/zinc/07/27/41/564072741.db2.gz LIDULJDIENWPCG-UHFFFAOYSA-N 0 1 338.370 4.947 50 0 EJAAMN CC(C)c1nc2ccc(CCC(=O)Nc3cccc(Cl)c3)cc2[nH]1 ZINC000075465718 564085954 /nfs/dbraw/zinc/08/59/54/564085954.db2.gz RIJBPBZRKMUHBA-UHFFFAOYSA-N 0 1 341.842 4.911 50 0 EJAAMN CCCc1nc2ccc(CCC(=O)Nc3ccc(CC)cc3)cc2[nH]1 ZINC000075465623 564085980 /nfs/dbraw/zinc/08/59/80/564085980.db2.gz GSVUFOAEMILMHZ-UHFFFAOYSA-N 0 1 335.451 4.649 50 0 EJAAMN CCc1nc2ccc(CCC(=O)Nc3cccc(C(C)C)c3)cc2[nH]1 ZINC000075465570 564086007 /nfs/dbraw/zinc/08/60/07/564086007.db2.gz UUMYHAWDBJHEEF-UHFFFAOYSA-N 0 1 335.451 4.820 50 0 EJAAMN CCCc1nc2ccc(CCC(=O)Nc3cc(C)ccc3C)cc2[nH]1 ZINC000075478710 564086644 /nfs/dbraw/zinc/08/66/44/564086644.db2.gz AUYMUQLQEVGULB-UHFFFAOYSA-N 0 1 335.451 4.704 50 0 EJAAMN C[C@@H](C(=O)Nc1ccc(Cl)cc1)N1CCC[C@H]1c1cccs1 ZINC000239275172 564088032 /nfs/dbraw/zinc/08/80/32/564088032.db2.gz BGOONDJWFCOMKF-WFASDCNBSA-N 0 1 334.872 4.566 50 0 EJAAMN COc1ccc(CCn2c3ccc(C)cc3c3c2CCCN(C)C3)cc1 ZINC000075567524 564089542 /nfs/dbraw/zinc/08/95/42/564089542.db2.gz IOCNAYQXBFPPHY-UHFFFAOYSA-N 0 1 348.490 4.579 50 0 EJAAMN Cc1ccc(-c2n[nH]c(NC(=O)c3ccccc3C(F)(F)F)c2C)o1 ZINC000192484494 564090226 /nfs/dbraw/zinc/09/02/26/564090226.db2.gz UEVFJDJGZCLLRX-UHFFFAOYSA-N 0 1 349.312 4.558 50 0 EJAAMN COc1ccc(-n2c(=S)[nH]nc2[C@@H]2C[C@H]2c2ccc(C)cc2)cc1 ZINC000006533835 564091698 /nfs/dbraw/zinc/09/16/98/564091698.db2.gz SQYRRWLGSBFELZ-DLBZAZTESA-N 0 1 337.448 4.518 50 0 EJAAMN FC(F)(F)c1cccc(CSc2nc(-c3ccccc3)n[nH]2)c1 ZINC000006552668 564091960 /nfs/dbraw/zinc/09/19/60/564091960.db2.gz BWDAHNGKVWJZLJ-UHFFFAOYSA-N 0 1 335.354 4.783 50 0 EJAAMN Cc1cccc([C@@H]2CCCCCN2C(=O)c2cc(C(C)C)[nH]n2)c1 ZINC000170630489 564110605 /nfs/dbraw/zinc/11/06/05/564110605.db2.gz QDRDOBUIQPZTCB-IBGZPJMESA-N 0 1 325.456 4.599 50 0 EJAAMN Cc1cc(C)cc(CNCc2cccnc2Oc2cccc(F)c2)c1 ZINC000065890923 564121988 /nfs/dbraw/zinc/12/19/88/564121988.db2.gz GPNLDQAHLZEBFF-UHFFFAOYSA-N 0 1 336.410 4.920 50 0 EJAAMN CC(=O)Nc1ccccc1CN(C)[C@H](C)c1sc(C(C)C)nc1C ZINC000093821647 564137998 /nfs/dbraw/zinc/13/79/98/564137998.db2.gz POSHHECVKPFIQJ-CQSZACIVSA-N 0 1 345.512 4.726 50 0 EJAAMN Cc1csc([C@@H](NCc2cc(Cl)cc3cccnc32)C2CC2)n1 ZINC000095418540 564139803 /nfs/dbraw/zinc/13/98/03/564139803.db2.gz SBRJCLHFICGINB-KRWDZBQOSA-N 0 1 343.883 4.894 50 0 EJAAMN C[C@H](N[C@@H](c1cc(F)ccc1F)C1CC1)c1ccc([S@@](C)=O)cc1 ZINC000095423500 564140209 /nfs/dbraw/zinc/14/02/09/564140209.db2.gz GNTTXLPMWGIIQE-SOZPDYFUSA-N 0 1 349.446 4.504 50 0 EJAAMN Cc1nc(CCN[C@H](c2cc3ccccc3o2)c2cccnc2)cs1 ZINC000095996262 564144236 /nfs/dbraw/zinc/14/42/36/564144236.db2.gz KDMHRHWFHJBXCC-FQEVSTJZSA-N 0 1 349.459 4.514 50 0 EJAAMN CCN(C(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1)c1cccc(C)c1 ZINC000057412163 564154033 /nfs/dbraw/zinc/15/40/33/564154033.db2.gz DBSRPUXMZBCHOX-UHFFFAOYSA-N 0 1 339.826 4.705 50 0 EJAAMN Cc1ccc(C)c(NC(=O)c2cc(-c3ccccc3Cl)n[nH]2)c1 ZINC000057412207 564154091 /nfs/dbraw/zinc/15/40/91/564154091.db2.gz QCELHOOLQPGUEG-UHFFFAOYSA-N 0 1 325.799 4.599 50 0 EJAAMN CN(C(=O)c1cc(-c2ccccc2Cl)n[nH]1)c1ccccc1Cl ZINC000057412412 564154123 /nfs/dbraw/zinc/15/41/23/564154123.db2.gz HDYCUONXXLMREY-UHFFFAOYSA-N 0 1 346.217 4.660 50 0 EJAAMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1cc(-c2ccccc2)cs1 ZINC000263508324 564162508 /nfs/dbraw/zinc/16/25/08/564162508.db2.gz MQUGAWWECAKHFH-MNEFBYGVSA-N 0 1 341.476 4.633 50 0 EJAAMN Clc1cccc(-c2noc(-c3cc(-c4cccs4)n[nH]3)n2)c1 ZINC000009002119 564168541 /nfs/dbraw/zinc/16/85/41/564168541.db2.gz JOWRWCOCVZHIHJ-UHFFFAOYSA-N 0 1 328.784 4.509 50 0 EJAAMN CCOc1cc(CNCc2ccco2)ccc1OCc1ccccc1 ZINC000004488573 210200843 /nfs/dbraw/zinc/20/08/43/210200843.db2.gz DVYVFKCGMBSCBZ-UHFFFAOYSA-N 0 1 337.419 4.547 50 0 EJAAMN CCc1cccc(NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)c1 ZINC000040478250 213314066 /nfs/dbraw/zinc/31/40/66/213314066.db2.gz CKHYJJLZHKDICB-UHFFFAOYSA-N 0 1 325.799 4.545 50 0 EJAAMN CSc1ccc(NC(=O)c2cc(-c3ccccc3Cl)n[nH]2)cc1 ZINC000025072217 202125668 /nfs/dbraw/zinc/12/56/68/202125668.db2.gz YXTQQSIXGXEUEC-UHFFFAOYSA-N 0 1 343.839 4.704 50 0 EJAAMN Cc1cccc(OCCSc2nc(-c3ccc(Cl)cc3)n[nH]2)c1 ZINC000028807320 202176967 /nfs/dbraw/zinc/17/69/67/202176967.db2.gz DENDWIOJUUXFKI-UHFFFAOYSA-N 0 1 345.855 4.605 50 0 EJAAMN Cc1cccc([C@@H]2c3cccn3CCCN2Cc2ccccc2F)c1 ZINC000036348381 213086582 /nfs/dbraw/zinc/08/65/82/213086582.db2.gz SYIBOSCFYZETPX-JOCHJYFZSA-N 0 1 334.438 4.931 50 0 EJAAMN COc1ccccc1[C@@H]1c2cccn2CCCN1Cc1cccc(C)c1 ZINC000036347723 213086067 /nfs/dbraw/zinc/08/60/67/213086067.db2.gz XAYDFAQQSYEISD-HSZRJFAPSA-N 0 1 346.474 4.800 50 0 EJAAMN COc1ccccc1CN1CCCn2cccc2[C@@H]1c1ccc(C)cc1 ZINC000036347249 213085469 /nfs/dbraw/zinc/08/54/69/213085469.db2.gz HJYSYLDJMUEIGQ-QHCPKHFHSA-N 0 1 346.474 4.800 50 0 EJAAMN Cc1ccccc1[C@H]1c2cccn2CCCN1Cc1cccc(F)c1 ZINC000036348308 213085376 /nfs/dbraw/zinc/08/53/76/213085376.db2.gz FFAXIXFRRMLXMB-QFIPXVFZSA-N 0 1 334.438 4.931 50 0 EJAAMN CC(C)CCN[C@@H]1c2ccccc2C(=O)N1[C@@H]1CCC[C@H](C)[C@H]1C ZINC000036167306 213074560 /nfs/dbraw/zinc/07/45/60/213074560.db2.gz BZJSNQIIXJXKDL-FIYPYCPBSA-N 0 1 328.500 4.601 50 0 EJAAMN Cc1ccc(-c2nc(CSc3nc4ccc(C)cc4[nH]3)no2)cc1 ZINC000032905988 202240828 /nfs/dbraw/zinc/24/08/28/202240828.db2.gz UHHHDEMHYJMLHF-UHFFFAOYSA-N 0 1 336.420 4.522 50 0 EJAAMN O=C1CN(c2ccc(Cl)cc2)N=C1c1ccc(Br)cc1 ZINC000215850500 241150256 /nfs/dbraw/zinc/15/02/56/241150256.db2.gz IWNZOCUGVICDAW-UHFFFAOYSA-N 0 1 349.615 4.661 50 0 EJAAMN Clc1c2ccccc2[nH]c1CN1CCC(c2ccncc2)CC1 ZINC000216000098 241155821 /nfs/dbraw/zinc/15/58/21/241155821.db2.gz SEAGNAKWQZTSNJ-UHFFFAOYSA-N 0 1 325.843 4.596 50 0 EJAAMN CCc1noc(CC)c1CN[C@H]1CCCc2c3cc(C)ccc3[nH]c21 ZINC000225510086 241905293 /nfs/dbraw/zinc/90/52/93/241905293.db2.gz YEYLAVBCHOEMMC-IBGZPJMESA-N 0 1 337.467 4.756 50 0 EJAAMN COc1ccc(-c2nc(CN3CCCC[C@@H]3C)c(C)o2)c(C)c1C ZINC000020997581 212196688 /nfs/dbraw/zinc/19/66/88/212196688.db2.gz JOIIMOAUGRADGC-ZDUSSCGKSA-N 0 1 328.456 4.650 50 0 EJAAMN COc1ccc(CN[C@@H](C)c2ccc(Cl)c(Cl)c2)cc1O ZINC000021021041 212200178 /nfs/dbraw/zinc/20/01/78/212200178.db2.gz GZBFVTXYOMABGN-JTQLQIEISA-N 0 1 326.223 4.558 50 0 EJAAMN CN(Cc1cc(-c2ccncc2)no1)Cc1ccccc1-c1ccco1 ZINC000072129201 203167106 /nfs/dbraw/zinc/16/71/06/203167106.db2.gz YPLUOMZWURXRLH-UHFFFAOYSA-N 0 1 345.402 4.629 50 0 EJAAMN CC(=O)c1cccc(CN2CCC[C@H](Nc3ccc(C)c(C)c3)C2)c1 ZINC000012307992 211341285 /nfs/dbraw/zinc/34/12/85/211341285.db2.gz ZERXAFGEKLQTFD-QFIPXVFZSA-N 0 1 336.479 4.583 50 0 EJAAMN C[C@@H](N[C@@H](c1ccccc1)C1CCCCC1)c1nnc2ccccn21 ZINC000095350755 218284818 /nfs/dbraw/zinc/28/48/18/218284818.db2.gz XMNOPTVIEGMIKN-UZLBHIALSA-N 0 1 334.467 4.702 50 0 EJAAMN COc1cccc2cc([C@@H](C)N[C@@H](C)c3cnn(C(C)C)c3)oc21 ZINC000095419646 218359115 /nfs/dbraw/zinc/35/91/15/218359115.db2.gz UZSGHLDVSSPDNI-UONOGXRCSA-N 0 1 327.428 4.631 50 0 EJAAMN CCc1oc2c(C)c(O)ccc2c(=O)c1-c1ccc2ccccc2n1 ZINC000006366409 210624258 /nfs/dbraw/zinc/62/42/58/210624258.db2.gz OWAJLWOUTXHOMQ-UHFFFAOYSA-N 0 1 331.371 4.585 50 0 EJAAMN COc1cc(CN[C@@H](C)c2ccc(Cl)cc2Cl)cc(OC)c1 ZINC000057681657 257973835 /nfs/dbraw/zinc/97/38/35/257973835.db2.gz CVMDWBSIEASELO-NSHDSACASA-N 0 1 340.250 4.861 50 0 EJAAMN CCCCN(CCCC)CN1C(=O)S/C(=C\c2ccccc2)C1=O ZINC000334163574 258015857 /nfs/dbraw/zinc/01/58/57/258015857.db2.gz XOUNMZYPEVEKKB-VKAVYKQESA-N 0 1 346.496 4.583 50 0 EJAAMN Cc1cccc2nc(SCc3cc4c(cc3Cl)OCO4)[nH]c21 ZINC000000086527 563220466 /nfs/dbraw/zinc/22/04/66/563220466.db2.gz HUUYFKDVDXNCTF-UHFFFAOYSA-N 0 1 332.812 4.546 50 0 EJAAMN O=C1C(=Nc2ccccc2)C[C@@H](c2ccc(F)cc2)N1c1ccccc1 ZINC000000122482 563235093 /nfs/dbraw/zinc/23/50/93/563235093.db2.gz RCHOMWTUXBTZPF-NRFANRHFSA-N 0 1 344.389 4.910 50 0 EJAAMN CC(C)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000000168380 563249925 /nfs/dbraw/zinc/24/99/25/563249925.db2.gz YTBPFVPLGMENGR-UHFFFAOYSA-N 0 1 344.263 4.918 50 0 EJAAMN Cc1ccc(-c2[nH]nc(C3CC3)c2NC(=O)CC(C)(C)C)c(C)c1 ZINC000034794838 563479895 /nfs/dbraw/zinc/47/98/95/563479895.db2.gz NJRGGARNOLEVEC-UHFFFAOYSA-N 0 1 325.456 4.946 50 0 EJAAMN Cc1ccc(-c2[nH]nc(C3CC3)c2NC(=O)c2ccccc2F)c(C)c1 ZINC000034794852 563479932 /nfs/dbraw/zinc/47/99/32/563479932.db2.gz GUSSUSQJJBBMCG-UHFFFAOYSA-N 0 1 349.409 4.962 50 0 EJAAMN CCCc1n[nH]c(-c2cccc(F)c2)c1NC(=O)c1cccc(F)c1 ZINC000034795104 563479999 /nfs/dbraw/zinc/47/99/99/563479999.db2.gz FCVILNGKDLERGE-UHFFFAOYSA-N 0 1 341.361 4.560 50 0 EJAAMN OC[C@]1(CCc2ccccc2)CCCN(Cc2ccc(Cl)s2)C1 ZINC000011720124 563650754 /nfs/dbraw/zinc/65/07/54/563650754.db2.gz XZEUQGPHDOVSQY-IBGZPJMESA-N 0 1 349.927 4.609 50 0 EJAAMN C/C(=C\c1ccccc1)CN1CCN(c2cccc(Cl)c2)CC1 ZINC000012342829 563658569 /nfs/dbraw/zinc/65/85/69/563658569.db2.gz HYTXLDGELUKQOT-SAPNQHFASA-N 0 1 326.871 4.566 50 0 EJAAMN CSc1ccc(CN[C@@H](C)c2cnn(-c3ccccc3)c2C)cc1 ZINC000012595909 563664717 /nfs/dbraw/zinc/66/47/17/563664717.db2.gz WMZBWIORRJQFOR-HNNXBMFYSA-N 0 1 337.492 4.753 50 0 EJAAMN COc1cc(-c2ccc(SC)cc2)cc2c1OCCN(C(C)C)C2 ZINC000014994341 563771106 /nfs/dbraw/zinc/77/11/06/563771106.db2.gz PFPYBDPLFDHUAC-UHFFFAOYSA-N 0 1 343.492 4.687 50 0 EJAAMN C/C(=C\c1ccccc1)CN1CCN(c2ccc(Cl)cc2)CC1 ZINC000023281959 563866519 /nfs/dbraw/zinc/86/65/19/563866519.db2.gz WMYKTASWDBAVTK-BMRADRMJSA-N 0 1 326.871 4.566 50 0 EJAAMN Cc1ccccc1OCCSc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000028807323 563904107 /nfs/dbraw/zinc/90/41/07/563904107.db2.gz KIAQVZLRFNXVPO-UHFFFAOYSA-N 0 1 345.855 4.605 50 0 EJAAMN Cc1cc(C)c(NC(=O)CN(C)[C@H]2CCc3ccccc32)c(Cl)c1 ZINC000029484428 563906768 /nfs/dbraw/zinc/90/67/68/563906768.db2.gz MAWRXXWLIFNTLF-SFHVURJKSA-N 0 1 342.870 4.515 50 0 EJAAMN CN(CC(=O)Nc1cccc(Cl)c1Cl)[C@H]1CCc2ccccc21 ZINC000029483145 563906802 /nfs/dbraw/zinc/90/68/02/563906802.db2.gz GSAJXLASTZAOOU-INIZCTEOSA-N 0 1 349.261 4.551 50 0 EJAAMN Cc1cccc(C(C)C)c1NC(=O)CN(C)[C@@H]1CCc2ccccc21 ZINC000029483163 563906830 /nfs/dbraw/zinc/90/68/30/563906830.db2.gz QSELXJPKDKYPSU-HXUWFJFHSA-N 0 1 336.479 4.676 50 0 EJAAMN Cc1cc(C)c2oc(=O)cc(CN(C)Cc3ccc(Cl)cc3)c2c1 ZINC000033018752 563914739 /nfs/dbraw/zinc/91/47/39/563914739.db2.gz RJAPRSGXCUTULS-UHFFFAOYSA-N 0 1 341.838 4.695 50 0 EJAAMN COc1ccc(CN2CCCCC[C@@H]2c2cccc(F)c2)cc1O ZINC000033087154 563914985 /nfs/dbraw/zinc/91/49/85/563914985.db2.gz KMNHWPXZZJNRGM-GOSISDBHSA-N 0 1 329.415 4.657 50 0 EJAAMN COc1cccc(-c2cnc(NCc3ccc(C(C)C)cc3)n2C)c1 ZINC000004678372 563963744 /nfs/dbraw/zinc/96/37/44/563963744.db2.gz XHJYJJQVVBINEL-UHFFFAOYSA-N 0 1 335.451 4.831 50 0 EJAAMN COc1ccc(CNc2ncc(-c3ccccc3)n2C)c2ccccc12 ZINC000004678315 563963811 /nfs/dbraw/zinc/96/38/11/563963811.db2.gz DYYFRXXHXZGNMW-UHFFFAOYSA-N 0 1 343.430 4.861 50 0 EJAAMN CC(C)c1cccc(C(C)C)c1OCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000014083927 563983161 /nfs/dbraw/zinc/98/31/61/563983161.db2.gz BQORZYXEEBAHHD-HDICACEKSA-N 0 1 333.516 4.812 50 0 EJAAMN CCn1c(-c2cc(NC(=O)C3CCCCC3)[nH]n2)cc2ccccc21 ZINC000075558611 564000462 /nfs/dbraw/zinc/00/04/62/564000462.db2.gz KQVGRGQBSRCMMV-UHFFFAOYSA-N 0 1 336.439 4.570 50 0 EJAAMN CN1C[C@@H](C(=O)c2ccccc2Cl)[C@@H](c2ccc(Cl)cc2)C1 ZINC000005525663 564004960 /nfs/dbraw/zinc/00/49/60/564004960.db2.gz TZYCOGSJLNLMCK-HZPDHXFCSA-N 0 1 334.246 4.522 50 0 EJAAMN CC(C)c1ccc(C(=O)CSc2nc(-c3ccccc3)n[nH]2)cc1 ZINC000005522900 564005058 /nfs/dbraw/zinc/00/50/58/564005058.db2.gz JJQMEZSXRZXDMZ-UHFFFAOYSA-N 0 1 337.448 4.570 50 0 EJAAMN Cc1ncc([C@H](C)N[C@@H](C)c2ccc(-c3ccncc3)cc2)c(C)n1 ZINC000155770240 564008323 /nfs/dbraw/zinc/00/83/23/564008323.db2.gz PXFNPVVCCPEEIL-GJZGRUSLSA-N 0 1 332.451 4.567 50 0 EJAAMN Cc1ccc(NC(=O)c2cc(-c3cccc4ccccc43)n[nH]2)c(F)c1 ZINC000044838225 564027354 /nfs/dbraw/zinc/02/73/54/564027354.db2.gz BCECDKGSVXPGOV-UHFFFAOYSA-N 0 1 345.377 4.930 50 0 EJAAMN CC(C)n1cc([C@@H](C)N[C@H](C)c2cccc(Br)c2)cn1 ZINC000095962851 564033836 /nfs/dbraw/zinc/03/38/36/564033836.db2.gz WEWNFUXQMYODCN-CHWSQXEVSA-N 0 1 336.277 4.638 50 0 EJAAMN COc1ccc(CNC2c3ccccc3-c3ccccc32)cc1OC ZINC000007782552 564034505 /nfs/dbraw/zinc/03/45/05/564034505.db2.gz FPAWNJOJXRSCGH-UHFFFAOYSA-N 0 1 331.415 4.563 50 0 EJAAMN CCc1noc(CC)c1CN[C@@H]1CCCc2c3cc(C)ccc3[nH]c21 ZINC000225510054 564047405 /nfs/dbraw/zinc/04/74/05/564047405.db2.gz YEYLAVBCHOEMMC-LJQANCHMSA-N 0 1 337.467 4.756 50 0 EJAAMN Cc1ccc(Nc2nc(O)c(Cc3cccc(Cl)c3)s2)cc1C ZINC000005812904 564054573 /nfs/dbraw/zinc/05/45/73/564054573.db2.gz CTMKRZUJUUERED-MRXNPFEDSA-N 0 1 344.867 4.609 50 0 EJAAMN Cc1ccc(NC2=NC(=O)C(Cc3cccc(Cl)c3)S2)cc1C ZINC000005812904 564054574 /nfs/dbraw/zinc/05/45/74/564054574.db2.gz CTMKRZUJUUERED-MRXNPFEDSA-N 0 1 344.867 4.609 50 0 EJAAMN C[C@@H]1[C@H](O)C[C@H](c2ccc(Cl)cc2)N[C@@H]1c1ccc(Cl)cc1 ZINC000003902377 564057878 /nfs/dbraw/zinc/05/78/78/564057878.db2.gz BPCLELONGIWKCR-WAFHWIMBSA-N 0 1 336.262 4.766 50 0 EJAAMN CN(Cc1cnn(-c2ccccc2)c1)Cc1ccc2ccccc2c1 ZINC000025679476 564062745 /nfs/dbraw/zinc/06/27/45/564062745.db2.gz HWQZPKBORXEFEY-UHFFFAOYSA-N 0 1 327.431 4.658 50 0 EJAAMN COc1ccc(CNCc2ccc(-c3cccs3)cc2F)cc1F ZINC000083953175 564065166 /nfs/dbraw/zinc/06/51/66/564065166.db2.gz UXNFUZISMBANHP-UHFFFAOYSA-N 0 1 345.414 4.992 50 0 EJAAMN Cc1cccc([C@@H]2CCCN2C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)c1 ZINC000084210698 564067416 /nfs/dbraw/zinc/06/74/16/564067416.db2.gz RALDVZPZHZDPSD-FQEVSTJZSA-N 0 1 349.409 4.502 50 0 EJAAMN c1[nH]c2ccccc2c1C1CCN(Cc2nc3ccccc3o2)CC1 ZINC000012777845 564069680 /nfs/dbraw/zinc/06/96/80/564069680.db2.gz GIULABYJFRWJRD-UHFFFAOYSA-N 0 1 331.419 4.689 50 0 EJAAMN CCOc1ccc(CN2CCC[C@@H]2c2ccc(F)cc2)cc1OCC ZINC000015837427 564076525 /nfs/dbraw/zinc/07/65/25/564076525.db2.gz UXUURPNKPKQVAL-LJQANCHMSA-N 0 1 343.442 4.960 50 0 EJAAMN O=C(CC1CCCC1)Nc1ccc2nc(CCc3ccccc3)[nH]c2c1 ZINC000015863868 564077142 /nfs/dbraw/zinc/07/71/42/564077142.db2.gz BIKQJCNAIGHTLQ-UHFFFAOYSA-N 0 1 347.462 4.867 50 0 EJAAMN CC(C)c1nc2ccc(CCC(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000075465721 564085976 /nfs/dbraw/zinc/08/59/76/564085976.db2.gz SPLDAYIKUOECQS-UHFFFAOYSA-N 0 1 341.842 4.911 50 0 EJAAMN CCc1nc2ccc(CCC(=O)Nc3ccc(C(C)C)cc3)cc2[nH]1 ZINC000075465562 564085984 /nfs/dbraw/zinc/08/59/84/564085984.db2.gz ZTEZVCHVOITXGF-UHFFFAOYSA-N 0 1 335.451 4.820 50 0 EJAAMN CCc1ccc(NC(=O)CCc2ccc3nc(C(C)C)[nH]c3c2)cc1 ZINC000075465735 564086061 /nfs/dbraw/zinc/08/60/61/564086061.db2.gz VBZALKDAUXJVDU-UHFFFAOYSA-N 0 1 335.451 4.820 50 0 EJAAMN CCc1ccccc1NC(=O)CCc1ccc2nc(C(C)C)[nH]c2c1 ZINC000075478730 564086631 /nfs/dbraw/zinc/08/66/31/564086631.db2.gz ZZEYNVCKEDCQES-UHFFFAOYSA-N 0 1 335.451 4.820 50 0 EJAAMN Cc1c([C@H](C)N[C@H](C)c2ccncc2)cnn1-c1cccc(Cl)c1 ZINC000089544956 564092796 /nfs/dbraw/zinc/09/27/96/564092796.db2.gz JPUFRYKDVHSEAH-KGLIPLIRSA-N 0 1 340.858 4.641 50 0 EJAAMN CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)N(C)Cc1ccccc1C ZINC000006841318 564099404 /nfs/dbraw/zinc/09/94/04/564099404.db2.gz FEQFRLZEPJCXTE-FUHWJXTLSA-N 0 1 338.495 4.968 50 0 EJAAMN Cc1nn(-c2ccccc2)c(C)c1CNCc1ccc(F)c(Cl)c1 ZINC000065154890 564102079 /nfs/dbraw/zinc/10/20/79/564102079.db2.gz IIXXABFJABUMRK-UHFFFAOYSA-N 0 1 343.833 4.571 50 0 EJAAMN Cc1[nH]c(SCc2cn3cccc(C)c3n2)nc1Cc1ccccc1 ZINC000036723717 564105459 /nfs/dbraw/zinc/10/54/59/564105459.db2.gz AXALFBIMBFDJLK-UHFFFAOYSA-N 0 1 348.475 4.557 50 0 EJAAMN C[C@H]1C[C@H](c2cccnc2)N(Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000170606860 564109587 /nfs/dbraw/zinc/10/95/87/564109587.db2.gz RDXJWDYYYVGSKU-KSFYIVLOSA-N 0 1 347.437 4.866 50 0 EJAAMN C[C@@H]1CCCC[C@H]1Nc1nc(-c2ccccc2O)nc2ccccc21 ZINC000002409186 564134626 /nfs/dbraw/zinc/13/46/26/564134626.db2.gz PSINKMOSZHXTLD-RHSMWYFYSA-N 0 1 333.435 4.993 50 0 EJAAMN CN(C)[C@H](C(=O)c1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000002631274 564151452 /nfs/dbraw/zinc/15/14/52/564151452.db2.gz SZXDHSMXKRLDLO-QFIPXVFZSA-N 0 1 329.443 4.632 50 0 EJAAMN CSc1ccc(-c2noc(-c3cc(-c4ccccc4C)n[nH]3)n2)cc1 ZINC000057510998 564154647 /nfs/dbraw/zinc/15/46/47/564154647.db2.gz IDFSCTKVPYYPIJ-UHFFFAOYSA-N 0 1 348.431 4.824 50 0 EJAAMN CCc1ccc2c(CN3CC=C(c4ccccc4)CC3)cc(=O)oc2c1 ZINC000057911483 564156584 /nfs/dbraw/zinc/15/65/84/564156584.db2.gz PRCKGPKGLNUWJI-UHFFFAOYSA-N 0 1 345.442 4.645 50 0 aggregator EJAAMN CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)N(C)Cc1ccccc1C ZINC000003491703 564158433 /nfs/dbraw/zinc/15/84/33/564158433.db2.gz FEQFRLZEPJCXTE-AEFFLSMTSA-N 0 1 338.495 4.968 50 0 EJAAMN C[C@@H](c1ccc(Cl)cc1)[C@H](C)[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000263571877 564164339 /nfs/dbraw/zinc/16/43/39/564164339.db2.gz KAPAFTKZXYALRS-KGLIPLIRSA-N 0 1 331.843 4.662 50 0 EJAAMN COc1cccc2cc(CN[C@@H]3CCOc4c(Cl)cccc43)oc21 ZINC000067248736 564165422 /nfs/dbraw/zinc/16/54/22/564165422.db2.gz GOVSSYVGXIIFOH-MRXNPFEDSA-N 0 1 343.810 4.708 50 0 EJAAMN CCCCN[C@H]1c2ccccc2C(=O)N1[C@H](C)CCc1ccccc1 ZINC000009659356 564174406 /nfs/dbraw/zinc/17/44/06/564174406.db2.gz BAEHIFDGFKNAKZ-DYESRHJHSA-N 0 1 336.479 4.552 50 0 EJAAMN C[C@@H](Nc1ccc(N2CCCCCC2)cc1)c1nc(C(C)(C)C)no1 ZINC000073637285 564176362 /nfs/dbraw/zinc/17/63/62/564176362.db2.gz LADLBQFBOQAKTC-OAHLLOKOSA-N 0 1 342.487 4.921 50 0 EJAAMN CC(C)CN(Cc1ccc([C@@H]2CCCCO2)o1)Cc1ccccn1 ZINC000055133902 214278163 /nfs/dbraw/zinc/27/81/63/214278163.db2.gz RJHSFFBHPAKFQP-IBGZPJMESA-N 0 1 328.456 4.574 50 0 EJAAMN Fc1cccc(F)c1-n1c(CNCc2ccccc2)csc1=S ZINC000004054524 210109382 /nfs/dbraw/zinc/10/93/82/210109382.db2.gz YLMFQVPLKRVBPU-UHFFFAOYSA-N 0 1 348.443 4.836 50 0 EJAAMN Cc1ccc2[nH]c(-c3cccc(-c4nc5ccc(C)cc5[nH]4)n3)nc2c1 ZINC000003654659 210072320 /nfs/dbraw/zinc/07/23/20/210072320.db2.gz CXHVMCLLVSAXIU-UHFFFAOYSA-N 0 1 339.402 4.785 50 0 EJAAMN Cc1ccc2nc(-c3cccc(-c4nc5ccc(C)cc5[nH]4)n3)[nH]c2c1 ZINC000003654659 210072324 /nfs/dbraw/zinc/07/23/24/210072324.db2.gz CXHVMCLLVSAXIU-UHFFFAOYSA-N 0 1 339.402 4.785 50 0 EJAAMN CC(=O)Nc1sc2c(c1CN(C)Cc1ccc(C)cc1)CCCC2 ZINC000003344788 210013243 /nfs/dbraw/zinc/01/32/43/210013243.db2.gz OJBGZIWMZFFPLH-UHFFFAOYSA-N 0 1 342.508 4.526 50 0 EJAAMN CC(C)N(C(=O)CNC(C)(C)c1ccc(Cl)cc1)c1ccccc1 ZINC000069454884 215426066 /nfs/dbraw/zinc/42/60/66/215426066.db2.gz NUZYCHFUSARKIG-UHFFFAOYSA-N 0 1 344.886 4.606 50 0 EJAAMN COc1ccc([C@@H](C)N[C@@H](C)c2ccc(C)o2)cc1Br ZINC000037105977 213132777 /nfs/dbraw/zinc/13/27/77/213132777.db2.gz DHYHUZYNEYWXPK-NEPJUHHUSA-N 0 1 338.245 4.771 50 0 EJAAMN Cc1cccc(CN2CCCn3cccc3[C@H]2c2ccccc2F)c1 ZINC000036347848 213086683 /nfs/dbraw/zinc/08/66/83/213086683.db2.gz FWONTTWTTGBZJY-JOCHJYFZSA-N 0 1 334.438 4.931 50 0 EJAAMN Oc1ccc(CN[C@H](c2cccs2)c2ccc3c(c2)CCC3)cc1 ZINC000032845176 212854704 /nfs/dbraw/zinc/85/47/04/212854704.db2.gz NELSEETYNOWOIK-NRFANRHFSA-N 0 1 335.472 4.822 50 0 EJAAMN COc1ccc2[nH]c(CN3CCCC[C@H]3c3ccccn3)c(C)c2c1 ZINC000072154853 216044369 /nfs/dbraw/zinc/04/43/69/216044369.db2.gz YLOAEOYOZHBBRQ-NRFANRHFSA-N 0 1 335.451 4.607 50 0 EJAAMN Cc1ccc(-c2[nH]nc(C3CC3)c2NC(=O)c2ccccc2)c(C)c1 ZINC000034794823 202275982 /nfs/dbraw/zinc/27/59/82/202275982.db2.gz URNWGPLPVQIRLG-UHFFFAOYSA-N 0 1 331.419 4.823 50 0 EJAAMN COc1cccc(-c2[nH]nc(CC(C)C)c2NC(=O)c2ccccc2)c1 ZINC000034796182 202277958 /nfs/dbraw/zinc/27/79/58/202277958.db2.gz BSEKXVPULLCSKE-UHFFFAOYSA-N 0 1 349.434 4.536 50 0 EJAAMN CN(CC(=O)Nc1ccccc1C(C)(C)C)[C@H]1CCc2ccccc21 ZINC000029488670 212670426 /nfs/dbraw/zinc/67/04/26/212670426.db2.gz QKDKLXFPKREGNT-FQEVSTJZSA-N 0 1 336.479 4.542 50 0 EJAAMN COc1cccc([C@H]2CCN2Cc2c[nH]nc2-c2ccc(C)c(C)c2)c1 ZINC000072409444 216201554 /nfs/dbraw/zinc/20/15/54/216201554.db2.gz IKJVEXWJHOFMAX-OAQYLSRUSA-N 0 1 347.462 4.649 50 0 EJAAMN Cc1ccccc1Cc1nnc(CN[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)o1 ZINC000108382318 219854061 /nfs/dbraw/zinc/85/40/61/219854061.db2.gz HDQQIMLHXLPZFI-ZYSHUDEJSA-N 0 1 341.499 4.519 50 0 EJAAMN Cc1ccc(-c2cc(C(=O)Nc3cc(Cl)ccc3Cl)[nH]n2)cc1 ZINC000044837724 202527463 /nfs/dbraw/zinc/52/74/63/202527463.db2.gz QRGSHPHCSIWCLY-UHFFFAOYSA-N 0 1 346.217 4.944 50 0 EJAAMN C[C@@H](NCc1cccc2cccnc21)c1ccccc1Br ZINC000023624445 212386586 /nfs/dbraw/zinc/38/65/86/212386586.db2.gz BRUHRGSDOTWTMK-CYBMUJFWSA-N 0 1 341.252 4.848 50 0 EJAAMN Fc1ccc(-c2n[nH]cc2CN2CCC[C@H]2c2cccc(F)c2)cc1 ZINC000021791655 212250795 /nfs/dbraw/zinc/25/07/95/212250795.db2.gz DLKZMTFJPGPGSG-IBGZPJMESA-N 0 1 339.389 4.692 50 0 EJAAMN CCc1onc(C)c1[C@@H]1CCCN1Cc1ccc(OC(C)C)cc1 ZINC000021720884 212243885 /nfs/dbraw/zinc/24/38/85/212243885.db2.gz KIGUXUIOAJVVNQ-SFHVURJKSA-N 0 1 328.456 4.670 50 0 EJAAMN CCCCc1ncc(CN2CCC[C@@H]2c2nc3ccccc3s2)[nH]1 ZINC000077318847 203379791 /nfs/dbraw/zinc/37/97/91/203379791.db2.gz ZKGCEVKCDLQJMU-MRXNPFEDSA-N 0 1 340.496 4.699 50 0 EJAAMN C[C@@H]1CN(CCCOc2ccc(Cl)cc2C(C)(C)C)C[C@H](C)O1 ZINC000016247621 211892994 /nfs/dbraw/zinc/89/29/94/211892994.db2.gz XLYSZANINBJJJD-GASCZTMLSA-N 0 1 339.907 4.516 50 0 EJAAMN CCN(CC)c1ccc(-c2n[nH]c(=S)n2-c2ccccc2C)cc1 ZINC000013636405 211596075 /nfs/dbraw/zinc/59/60/75/211596075.db2.gz XAJRGLUHUADUFU-UHFFFAOYSA-N 0 1 338.480 4.752 50 0 EJAAMN CCOc1ccc(-c2cc(-c3nc(-c4cccc(C)c4)no3)[nH]n2)cc1 ZINC000012415142 211373487 /nfs/dbraw/zinc/37/34/87/211373487.db2.gz FQJXRJSXNABUSE-UHFFFAOYSA-N 0 1 346.390 4.501 50 0 EJAAMN CCOc1ccc2nc(SCc3cccc4cccnc43)[nH]c2c1 ZINC000011148318 211205088 /nfs/dbraw/zinc/20/50/88/211205088.db2.gz SDBHVWHUFUIUFA-UHFFFAOYSA-N 0 1 335.432 4.802 50 0 EJAAMN C[C@H](N[C@@H](c1ccccc1)C1CCCCC1)c1nnc2ccccn21 ZINC000095350754 218285046 /nfs/dbraw/zinc/28/50/46/218285046.db2.gz XMNOPTVIEGMIKN-JXFKEZNVSA-N 0 1 334.467 4.702 50 0 EJAAMN O=C(Nc1nc2ccccc2n1C1CCCC1)c1ccc(Cl)s1 ZINC000095400158 218334079 /nfs/dbraw/zinc/33/40/79/218334079.db2.gz ZJUICLDHZFUCGI-UHFFFAOYSA-N 0 1 345.855 4.541 50 0 EJAAMN Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)N[C@@H](C)c1cnn(C)c1 ZINC000096477344 218854630 /nfs/dbraw/zinc/85/46/30/218854630.db2.gz MDLAOYIMGBHMSF-UONOGXRCSA-N 0 1 340.496 4.572 50 0 EJAAMN COc1ccc(-c2ccc(CNCc3cccs3)o2)cc1Cl ZINC000004942944 210334864 /nfs/dbraw/zinc/33/48/64/210334864.db2.gz YCLUJBRENSBBJO-UHFFFAOYSA-N 0 1 333.840 4.960 50 0 EJAAMN Clc1ccc(COc2ccc(CNCc3ccco3)cc2)cc1 ZINC000004869127 210308241 /nfs/dbraw/zinc/30/82/41/210308241.db2.gz KHEFKDJDDWWSJK-UHFFFAOYSA-N 0 1 327.811 4.802 50 0 EJAAMN Cc1ccc2nc(-c3ccc(NC(=O)Cc4ccccc4)cc3)[nH]c2c1 ZINC000004755243 210272034 /nfs/dbraw/zinc/27/20/34/210272034.db2.gz KNTWTDNACITKML-UHFFFAOYSA-N 0 1 341.414 4.720 50 0 EJAAMN Cc1ccc2nc(SCC(=O)Nc3ccc4ccccc4c3)[nH]c2c1 ZINC000004740048 563509609 /nfs/dbraw/zinc/50/96/09/563509609.db2.gz CNPPNCJCMPTQKR-UHFFFAOYSA-N 0 1 347.443 4.755 50 0 EJAAMN FC(F)(F)c1cccc(N2CCN(C/C=C/c3ccccc3)CC2)c1 ZINC000004980801 563517158 /nfs/dbraw/zinc/51/71/58/563517158.db2.gz KFONMTOGIJOUDV-VMPITWQZSA-N 0 1 346.396 4.541 50 0 EJAAMN O=c1c(-c2ccc(Cl)c(Cl)c2)c[nH]n1-c1cccc(Cl)c1 ZINC000005671218 563544827 /nfs/dbraw/zinc/54/48/27/563544827.db2.gz WYHIFSRNAGVDFA-UHFFFAOYSA-N 0 1 339.609 4.793 50 0 EJAAMN CN(CC(=O)Nc1ccc(Cl)cc1Cl)[C@H]1CCc2ccccc21 ZINC000029483115 563906796 /nfs/dbraw/zinc/90/67/96/563906796.db2.gz WZUJGLCWBQEIII-KRWDZBQOSA-N 0 1 349.261 4.551 50 0 EJAAMN CCc1n[nH]c(-c2ccccc2Cl)c1NC(=O)c1cccs1 ZINC000034796403 563919723 /nfs/dbraw/zinc/91/97/23/563919723.db2.gz MZZQFWHJIPXUSQ-UHFFFAOYSA-N 0 1 331.828 4.606 50 0 EJAAMN CCn1c2ccc(F)cc2nc1CN1CCC[C@@H]1c1ccccc1C ZINC000058296536 563942018 /nfs/dbraw/zinc/94/20/18/563942018.db2.gz XROXYMNMHRWABA-LJQANCHMSA-N 0 1 337.442 4.841 50 0 EJAAMN CN(Cc1nc(-c2ccccc2)no1)C1CCC(c2ccccc2)CC1 ZINC000058394189 563944865 /nfs/dbraw/zinc/94/48/65/563944865.db2.gz AEHKQTYTFISOHJ-UHFFFAOYSA-N 0 1 347.462 4.895 50 0 EJAAMN Cc1ccc2nc(CN3CCC[C@@H]3c3cc(C(C)C)on3)[nH]c2c1C ZINC000067908373 563963020 /nfs/dbraw/zinc/96/30/20/563963020.db2.gz CSBIRWFZBNTTRU-QGZVFWFLSA-N 0 1 338.455 4.628 50 0 EJAAMN CCc1ccc(CNc2ncc(-c3cccc(Cl)c3)n2C)cc1 ZINC000004678239 563963777 /nfs/dbraw/zinc/96/37/77/563963777.db2.gz NOPUPSCVWDUJOK-UHFFFAOYSA-N 0 1 325.843 4.915 50 0 EJAAMN Clc1cc(CSc2nc(-c3cccs3)n[nH]2)cc(Cl)n1 ZINC000060533571 563964679 /nfs/dbraw/zinc/96/46/79/563964679.db2.gz MRVFTTKEXKKKOJ-UHFFFAOYSA-N 0 1 343.264 4.527 50 0 EJAAMN Fc1ccc2nc([C@@H]3CCCN3Cc3cc(F)cc(Cl)c3)[nH]c2c1 ZINC000077376068 563969245 /nfs/dbraw/zinc/96/92/45/563969245.db2.gz FYZOFHUHPKDUPN-KRWDZBQOSA-N 0 1 347.796 4.832 50 0 EJAAMN Cc1ncc([C@@H](C)N[C@@H](C)c2ccc(-c3ccncc3)cc2)c(C)n1 ZINC000155770123 564008329 /nfs/dbraw/zinc/00/83/29/564008329.db2.gz PXFNPVVCCPEEIL-LSDHHAIUSA-N 0 1 332.451 4.567 50 0 EJAAMN Cc1ccc(-c2noc(-c3cc(-c4ccc(Cl)cc4)n[nH]3)n2)cc1 ZINC000046913958 564025523 /nfs/dbraw/zinc/02/55/23/564025523.db2.gz PHADRMKSMHQNJO-UHFFFAOYSA-N 0 1 336.782 4.756 50 0 EJAAMN Cc1cccc(-c2noc(-c3cc(-c4cc(C)ccc4C)n[nH]3)n2)c1 ZINC000046914267 564025564 /nfs/dbraw/zinc/02/55/64/564025564.db2.gz QYVLIFUGXNMRHJ-UHFFFAOYSA-N 0 1 330.391 4.719 50 0 EJAAMN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)N1CCC[C@H]1c1cccs1 ZINC000058773523 564031891 /nfs/dbraw/zinc/03/18/91/564031891.db2.gz ZAFJFOWSYFHMPC-YOEHRIQHSA-N 0 1 338.476 4.946 50 0 EJAAMN CCc1ccc(/C=C2\C[N@H+](C)C/C(=C/c3ccc(CC)cc3)C2O)cc1 ZINC000083314095 564063101 /nfs/dbraw/zinc/06/31/01/564063101.db2.gz OLLXKZAKKAXRMF-OQRYGUKSSA-N 0 1 347.502 4.585 50 0 EJAAMN CCc1ccc(/C=C2\CN(C)C/C(=C/c3ccc(CC)cc3)C2O)cc1 ZINC000083314095 564063102 /nfs/dbraw/zinc/06/31/02/564063102.db2.gz OLLXKZAKKAXRMF-OQRYGUKSSA-N 0 1 347.502 4.585 50 0 EJAAMN CCCOc1ccccc1C=NNc1cc(C)nc2ccc(OC)cc21 ZINC000004991909 564070402 /nfs/dbraw/zinc/07/04/02/564070402.db2.gz XMKZCIZYYZBFAV-HYARGMPZSA-N 0 1 349.434 4.787 50 0 EJAAMN COc1ccc2c(c1)C(c1ccccc1)=NNC(c1ccc(C)cc1)=N2 ZINC000006076805 564073540 /nfs/dbraw/zinc/07/35/40/564073540.db2.gz BUIXPOLWRTVYMD-UHFFFAOYSA-N 0 1 341.414 4.628 50 0 EJAAMN COc1cc(CN2CCC[C@@H]2c2cccc(F)c2)ccc1OC(C)C ZINC000015837219 564076490 /nfs/dbraw/zinc/07/64/90/564076490.db2.gz BCTKUZFIWDTAMS-LJQANCHMSA-N 0 1 343.442 4.959 50 0 EJAAMN Cc1ccc2nc(SCC(=O)c3cccc4ccccc43)[nH]c2c1 ZINC000006187976 564080333 /nfs/dbraw/zinc/08/03/33/564080333.db2.gz PNUGPBJXNHCLNV-UHFFFAOYSA-N 0 1 332.428 5.000 50 0 EJAAMN c1csc(-c2n[nH]c(SCc3csc(C4CCCC4)n3)n2)c1 ZINC000064023948 564083636 /nfs/dbraw/zinc/08/36/36/564083636.db2.gz DKFOYHWDVJWSPB-UHFFFAOYSA-N 0 1 348.522 4.940 50 0 EJAAMN CCCc1nc2ccc(CCC(=O)Nc3cccc(Cl)c3)cc2[nH]1 ZINC000075465605 564085962 /nfs/dbraw/zinc/08/59/62/564085962.db2.gz BXGZAPBEODRLLQ-UHFFFAOYSA-N 0 1 341.842 4.740 50 0 EJAAMN CC(=NN=c1ccc2ccccc2[nH]1)c1ccc2ccccc2c1O ZINC000252457563 564090099 /nfs/dbraw/zinc/09/00/99/564090099.db2.gz RMZOQAMOECWONV-UHFFFAOYSA-N 0 1 327.387 4.930 50 0 EJAAMN c1coc([C@@H](CNc2nsc3ccccc32)N2CCCCC2)c1 ZINC000007778864 564123085 /nfs/dbraw/zinc/12/30/85/564123085.db2.gz QAQVTPKEMVYMMP-OAHLLOKOSA-N 0 1 327.453 4.528 50 0 EJAAMN c1ncc(CNc2nc(C3CC3)nc3scc(-c4ccccc4)c32)[nH]1 ZINC000079063887 564137776 /nfs/dbraw/zinc/13/77/76/564137776.db2.gz NHWZGCJLFMHUEX-UHFFFAOYSA-N 0 1 347.447 4.571 50 0 EJAAMN c1ccc2c(c1)cccc2OC[C@H]1CN(C2CCCCC2)CS1 ZINC000019897349 564138270 /nfs/dbraw/zinc/13/82/70/564138270.db2.gz PTOXMOXKVOYELA-GOSISDBHSA-N 0 1 327.493 4.926 50 0 EJAAMN CCOc1ncccc1CN[C@H](C)c1ccc(OC(C)(C)C)cc1 ZINC000095943440 564142113 /nfs/dbraw/zinc/14/21/13/564142113.db2.gz BDVXBSJEEMUPHF-OAHLLOKOSA-N 0 1 328.456 4.508 50 0 EJAAMN Cc1cccc(Cl)c1NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000057412136 564154021 /nfs/dbraw/zinc/15/40/21/564154021.db2.gz OTHURBAKGZCRPM-UHFFFAOYSA-N 0 1 346.217 4.944 50 0 EJAAMN Cc1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)n[nH]2)cc1Cl ZINC000057412675 564154121 /nfs/dbraw/zinc/15/41/21/564154121.db2.gz PBAUATTUDDSYLH-UHFFFAOYSA-N 0 1 346.217 4.944 50 0 EJAAMN Cc1cc(NC(=O)c2cc(-c3cccc(Cl)c3)n[nH]2)ccc1Cl ZINC000057412705 564154139 /nfs/dbraw/zinc/15/41/39/564154139.db2.gz KDCARWKNMINUDO-UHFFFAOYSA-N 0 1 346.217 4.944 50 0 EJAAMN Cc1cc2oc(=O)cc(CN[C@@H](C)c3ccc(Cl)cc3)c2cc1C ZINC000057553983 564154938 /nfs/dbraw/zinc/15/49/38/564154938.db2.gz ZHZQEWZNRYAAFW-AWEZNQCLSA-N 0 1 341.838 4.914 50 0 EJAAMN CC(C)(C)c1nc2ccc(NC(=O)c3ccc(F)cc3Cl)cc2[nH]1 ZINC000032465294 564161495 /nfs/dbraw/zinc/16/14/95/564161495.db2.gz TZNQEVVBWUYQQD-UHFFFAOYSA-N 0 1 345.805 4.905 50 0 EJAAMN CC(C)c1ccc(C[C@H]2CC[N@@H+](Cc3cccc(C(=O)[O-])c3)C2)cc1 ZINC000263406894 564161523 /nfs/dbraw/zinc/16/15/23/564161523.db2.gz KEDMUYAYFSHYEK-LJQANCHMSA-N 0 1 337.463 4.573 50 0 EJAAMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1cc(-c2ccccc2)cs1 ZINC000263508322 564162478 /nfs/dbraw/zinc/16/24/78/564162478.db2.gz MQUGAWWECAKHFH-IPELMVKDSA-N 0 1 341.476 4.633 50 0 EJAAMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1cc(-c2ccccc2)cs1 ZINC000263508325 564162487 /nfs/dbraw/zinc/16/24/87/564162487.db2.gz MQUGAWWECAKHFH-SNRMKQJTSA-N 0 1 341.476 4.633 50 0 EJAAMN c1ccc2oc(CN3CCC(c4nc5ccccc5s4)CC3)nc2c1 ZINC000008076287 564162549 /nfs/dbraw/zinc/16/25/49/564162549.db2.gz LMZHSPRRCLPEHI-UHFFFAOYSA-N 0 1 349.459 4.817 50 0 EJAAMN C[C@H](C(=O)Nc1ccc(Cl)cc1)N1CCC[C@@H]1c1cccs1 ZINC000008320219 564164319 /nfs/dbraw/zinc/16/43/19/564164319.db2.gz BGOONDJWFCOMKF-IUODEOHRSA-N 0 1 334.872 4.566 50 0 EJAAMN CCOc1ccc(-c2cc(-c3nc(-c4ccc(C)cc4)no3)[nH]n2)cc1 ZINC000008603009 564166006 /nfs/dbraw/zinc/16/60/06/564166006.db2.gz SUJSTLYCEVEFPS-UHFFFAOYSA-N 0 1 346.390 4.501 50 0 EJAAMN CC(C)(C)c1nc2cc(NC(=O)c3ccc(O)c(Cl)c3)ccc2o1 ZINC000040087425 564167925 /nfs/dbraw/zinc/16/79/25/564167925.db2.gz CTHSUMDHIQXGRE-UHFFFAOYSA-N 0 1 344.798 4.737 50 0 EJAAMN C[C@@H](NC(=O)c1ccc(O)c(Cl)c1)c1cccc(C(F)(F)F)c1 ZINC000040160046 564168443 /nfs/dbraw/zinc/16/84/43/564168443.db2.gz NSSSCEKFRHTZKV-SECBINFHSA-N 0 1 343.732 4.555 50 0 EJAAMN C[C@@H]1C[C@H]1c1ccc(CN(C(=O)c2ccc(O)c(Cl)c2)C2CC2)o1 ZINC000071811820 564175588 /nfs/dbraw/zinc/17/55/88/564175588.db2.gz USWPIBHHGRRSJT-IAQYHMDHSA-N 0 1 345.826 4.567 50 0 EJAAMN CN(Cc1ccc(-c2ccccc2)cc1)C(=O)c1cccc2n[nH]cc21 ZINC000071843972 564175891 /nfs/dbraw/zinc/17/58/91/564175891.db2.gz FQUJCFWXBQLFEZ-UHFFFAOYSA-N 0 1 341.414 4.502 50 0 EJAAMN CCCCc1ccc(NC(=O)c2cc(-c3ccc(OC)cc3)n[nH]2)cc1 ZINC000051315551 214088013 /nfs/dbraw/zinc/08/80/13/214088013.db2.gz ZJHLULKBZAPHPM-UHFFFAOYSA-N 0 1 349.434 4.680 50 0 EJAAMN C[C@@]12CCCCN1CCc1c3ccccc3n(Cc3ccccc3)c12 ZINC000051943491 214110201 /nfs/dbraw/zinc/11/02/01/214110201.db2.gz ZBJOXDVCELHJTF-QHCPKHFHSA-N 0 1 330.475 4.947 50 0 EJAAMN FC(F)(F)c1cccc([C@H]2NCc3ccccc3-n3cccc32)c1 ZINC000055211412 214288174 /nfs/dbraw/zinc/28/81/74/214288174.db2.gz XFMJWEIWAAWRJQ-GOSISDBHSA-N 0 1 328.337 4.689 50 0 EJAAMN Cc1cccc(C)c1NC(=O)CSc1nc2ccc(Cl)cc2[nH]1 ZINC000004485012 210200111 /nfs/dbraw/zinc/20/01/11/210200111.db2.gz YYHBIGSHIHOPSM-UHFFFAOYSA-N 0 1 345.855 4.564 50 0 EJAAMN COc1ccc2nc(Nc3nc4c(s3)C[C@H](C)CC4)sc2c1 ZINC000004137726 210129686 /nfs/dbraw/zinc/12/96/86/210129686.db2.gz RMRUUBCNQNKVGB-SECBINFHSA-N 0 1 331.466 4.630 50 0 EJAAMN COc1ccccc1[C@H]1c2cccn2CCCN1Cc1cccc(C)c1 ZINC000036347722 213085432 /nfs/dbraw/zinc/08/54/32/213085432.db2.gz XAYDFAQQSYEISD-QHCPKHFHSA-N 0 1 346.474 4.800 50 0 EJAAMN Cc1cccc(CN2CCCn3cccc3[C@@H]2c2ccc(F)cc2)c1 ZINC000036347632 213085360 /nfs/dbraw/zinc/08/53/60/213085360.db2.gz CJTSGMCFXDGPMI-QFIPXVFZSA-N 0 1 334.438 4.931 50 0 EJAAMN Cc1c(C)n(Cc2ccccn2)c2nc(-c3ccccc3)c(C)c(N)c12 ZINC000036351253 213088146 /nfs/dbraw/zinc/08/81/46/213088146.db2.gz IOMRDTGSIYFCPB-UHFFFAOYSA-N 0 1 342.446 4.654 50 0 EJAAMN Cc1ccc(-c2csc(-c3cc4ccc(O)cc4oc3=O)n2)cc1C ZINC000000424860 209587130 /nfs/dbraw/zinc/58/71/30/209587130.db2.gz GNGHAEFOFQWKFW-UHFFFAOYSA-N 0 1 349.411 4.906 50 0 EJAAMN CCCc1n[nH]c(-c2cccc(OC)c2)c1NC(=O)C1CCCCC1 ZINC000034796165 202277814 /nfs/dbraw/zinc/27/78/14/202277814.db2.gz SCJJXOQMMUZLIS-UHFFFAOYSA-N 0 1 341.455 4.557 50 0 EJAAMN CC(C)c1ccc(-c2cc(-c3nc(-c4ccccc4)no3)[nH]n2)cc1 ZINC000035504131 202305828 /nfs/dbraw/zinc/30/58/28/202305828.db2.gz AFRQXLTZECPLMF-UHFFFAOYSA-N 0 1 330.391 4.917 50 0 EJAAMN Cc1ccc(CN2CCCn3cccc3[C@@H]2c2ccccc2F)cc1 ZINC000036347819 202321229 /nfs/dbraw/zinc/32/12/29/202321229.db2.gz DPCSAWHFTHFOSB-QFIPXVFZSA-N 0 1 334.438 4.931 50 0 EJAAMN COC(=O)c1ccc2nc(C)cc(Nc3cccc(Cl)c3)c2c1 ZINC000000144070 209447598 /nfs/dbraw/zinc/44/75/98/209447598.db2.gz DARHMUUNLZEAET-UHFFFAOYSA-N 0 1 326.783 4.727 50 0 EJAAMN CN(Cc1ccc([C@@H]2CCCCO2)o1)Cc1cccc2cnccc21 ZINC000215530388 241130642 /nfs/dbraw/zinc/13/06/42/241130642.db2.gz SPHCLFYQFHUQPG-FQEVSTJZSA-N 0 1 336.435 4.701 50 0 EJAAMN CN(C)Cc1cc(F)ccc1Sc1ccc(C(F)(F)F)cc1N ZINC000000332424 201462159 /nfs/dbraw/zinc/46/21/59/201462159.db2.gz JZMIQIGBZKFZPU-UHFFFAOYSA-N 0 1 344.377 4.640 50 0 EJAAMN CCc1onc(C)c1[C@H]1CCCN1Cc1ccc(OC(C)C)cc1 ZINC000021720886 212244932 /nfs/dbraw/zinc/24/49/32/212244932.db2.gz KIGUXUIOAJVVNQ-GOSISDBHSA-N 0 1 328.456 4.670 50 0 EJAAMN c1csc([C@@H]2NCc3c4c(sc3-n3cccc32)CCCC4)c1 ZINC000020865011 212178799 /nfs/dbraw/zinc/17/87/99/212178799.db2.gz KZKQGMLJOQPPPJ-QGZVFWFLSA-N 0 1 326.490 4.672 50 0 EJAAMN Fc1ccc([C@@H]2CCCCN2Cc2cc(-c3ccncc3)no2)cc1 ZINC000244723525 243070237 /nfs/dbraw/zinc/07/02/37/243070237.db2.gz MDFOIGYZHRNVPF-FQEVSTJZSA-N 0 1 337.398 4.603 50 0 EJAAMN C[C@@H]1CN(CCCOc2ccc(Cl)cc2C(C)(C)C)C[C@@H](C)O1 ZINC000020167507 212108161 /nfs/dbraw/zinc/10/81/61/212108161.db2.gz XLYSZANINBJJJD-HUUCEWRRSA-N 0 1 339.907 4.516 50 0 EJAAMN CCCCC1CCC(C(=O)NC[C@@H](c2ccco2)N2CCCC2)CC1 ZINC000008915189 211016358 /nfs/dbraw/zinc/01/63/58/211016358.db2.gz KHBAGKKFBRJIQE-ACBHZAAOSA-N 0 1 346.515 4.529 50 0 EJAAMN Cc1ccc(Cl)c(CN2CCC(c3nccn3C(C)C)CC2)c1F ZINC000095385154 218316391 /nfs/dbraw/zinc/31/63/91/218316391.db2.gz PZZYXYJJFOLXSI-UHFFFAOYSA-N 0 1 349.881 4.945 50 0 EJAAMN CCOc1cc(CNCc2ccco2)ccc1OCc1cccs1 ZINC000004942825 210333848 /nfs/dbraw/zinc/33/38/48/210333848.db2.gz PWEYTMTYLJRBOJ-UHFFFAOYSA-N 0 1 343.448 4.609 50 0 EJAAMN CC(C)=Cc1oc2c(cc(Cl)cc2Cl)c1N1CCN(C)CC1 ZINC000004837271 210292946 /nfs/dbraw/zinc/29/29/46/210292946.db2.gz DNOYFDFGYFDKCK-UHFFFAOYSA-N 0 1 339.266 4.915 50 0 EJAAMN CC(C)(C)c1n[nH]c(SCc2csc(-c3cccs3)n2)n1 ZINC000032883989 258058984 /nfs/dbraw/zinc/05/89/84/258058984.db2.gz KGIDIYDTKGBJFF-UHFFFAOYSA-N 0 1 336.511 4.580 50 0 EJAAMN CC(C)(C)c1nc(SCc2csc(-c3cccs3)n2)n[nH]1 ZINC000032883989 258058986 /nfs/dbraw/zinc/05/89/86/258058986.db2.gz KGIDIYDTKGBJFF-UHFFFAOYSA-N 0 1 336.511 4.580 50 0 EJAAMN c1ccc(-c2[nH]nc(-c3cccnc3)c2-c2nc3ccccc3[nH]2)cc1 ZINC000000312310 563281347 /nfs/dbraw/zinc/28/13/47/563281347.db2.gz FZECCCCODNTJJK-UHFFFAOYSA-N 0 1 337.386 4.682 50 0 EJAAMN O=C(c1cccc(CN2CCCC2)c1)c1cccc(Cl)c1Cl ZINC000002515084 563436360 /nfs/dbraw/zinc/43/63/60/563436360.db2.gz ARDYNEROAUNCGD-UHFFFAOYSA-N 0 1 334.246 4.820 50 0 EJAAMN COc1ccc(F)cc1-c1cncc(CN(C)Cc2ccccc2)c1 ZINC000034670388 563445220 /nfs/dbraw/zinc/44/52/20/563445220.db2.gz MURVSOOUBRHLLF-UHFFFAOYSA-N 0 1 336.410 4.528 50 0 EJAAMN CC(C)(C)CC(=O)Nc1c(C2CC2)n[nH]c1-c1cccc(Cl)c1 ZINC000034793672 563479223 /nfs/dbraw/zinc/47/92/23/563479223.db2.gz AOJSAOKYPZALPI-UHFFFAOYSA-N 0 1 331.847 4.982 50 0 EJAAMN O=C(Nc1c(C2CC2)n[nH]c1-c1ccc(C(F)(F)F)cc1)C1CCC1 ZINC000034795557 563480323 /nfs/dbraw/zinc/48/03/23/563480323.db2.gz KNAAANPYPYSHRB-UHFFFAOYSA-N 0 1 349.356 4.712 50 0 EJAAMN CC1CCN(CCOc2ccc3ccccc3c2Br)CC1 ZINC000006308992 563564916 /nfs/dbraw/zinc/56/49/16/563564916.db2.gz FDHNOQOWTRTLFX-UHFFFAOYSA-N 0 1 348.284 4.713 50 0 EJAAMN Clc1ccccc1COc1ccccc1CNCc1cccnc1 ZINC000006671715 563577858 /nfs/dbraw/zinc/57/78/58/563577858.db2.gz SYGFFWVHJVVZNW-UHFFFAOYSA-N 0 1 338.838 4.604 50 0 EJAAMN Clc1ccc(-c2ccc(CNCc3cccnc3)o2)c(Cl)c1 ZINC000007365341 563600139 /nfs/dbraw/zinc/60/01/39/563600139.db2.gz RMLGZGNUHKBZJY-UHFFFAOYSA-N 0 1 333.218 4.938 50 0 EJAAMN Cc1nn2c(nc(C)cc2Nc2ccncc2)c1-c1ccccc1Cl ZINC000007572464 563606372 /nfs/dbraw/zinc/60/63/72/563606372.db2.gz LLRHQEDEAOKTPS-UHFFFAOYSA-N 0 1 349.825 4.805 50 0 EJAAMN Fc1ccc(CSc2nc(-c3cccs3)n[nH]2)c(Cl)c1 ZINC000012793412 563671893 /nfs/dbraw/zinc/67/18/93/563671893.db2.gz LUMRNSYDWPKDCU-UHFFFAOYSA-N 0 1 325.821 4.618 50 0 EJAAMN Cc1ccc(-c2nc(CSc3nc(C4CCCC4)n[nH]3)co2)cc1 ZINC000012822032 563675272 /nfs/dbraw/zinc/67/52/72/563675272.db2.gz KNCRLDVZKMWKFE-UHFFFAOYSA-N 0 1 340.452 4.718 50 0 EJAAMN Cc1ccc(-c2nc(CSc3n[nH]c(C4CCCC4)n3)co2)cc1 ZINC000012822032 563675275 /nfs/dbraw/zinc/67/52/75/563675275.db2.gz KNCRLDVZKMWKFE-UHFFFAOYSA-N 0 1 340.452 4.718 50 0 EJAAMN COc1ccccc1[C@@H](C)N(C)Cc1c[nH]nc1-c1ccc(C)c(C)c1 ZINC000015064905 563775110 /nfs/dbraw/zinc/77/51/10/563775110.db2.gz WAODTHSAZFHTQQ-QGZVFWFLSA-N 0 1 349.478 4.895 50 0 EJAAMN Cc1ccc(-c2nc(CN(Cc3ccccc3)CC3CC3)c(C)o2)o1 ZINC000015075825 563776499 /nfs/dbraw/zinc/77/64/99/563776499.db2.gz JZKQJSCEPOAFJT-UHFFFAOYSA-N 0 1 336.435 4.964 50 0 EJAAMN COc1ccc(CNCc2ccc(-c3ccccc3Cl)o2)cc1 ZINC000017310333 563842623 /nfs/dbraw/zinc/84/26/23/563842623.db2.gz BUOXCICQQOPRAB-UHFFFAOYSA-N 0 1 327.811 4.898 50 0 EJAAMN Cc1ccc2nc(SCc3csc(-c4ccco4)n3)[nH]c2c1 ZINC000025460327 563885150 /nfs/dbraw/zinc/88/51/50/563885150.db2.gz BUKXFJAIUJOKLU-UHFFFAOYSA-N 0 1 327.434 4.880 50 0 EJAAMN O=C(Nc1ccc2nc(C(F)(F)F)[nH]c2c1)c1cc2ccccc2o1 ZINC000030952714 563911904 /nfs/dbraw/zinc/91/19/04/563911904.db2.gz HRGZUVMMNFSBQZ-UHFFFAOYSA-N 0 1 345.280 4.580 50 0 EJAAMN CCOc1cccc(CN(Cc2ccc3cccc(O)c3n2)C2CC2)c1 ZINC000055243657 563934186 /nfs/dbraw/zinc/93/41/86/563934186.db2.gz MJQAPROUUWDTGB-UHFFFAOYSA-N 0 1 348.446 4.504 50 0 EJAAMN C[C@H](c1nc(-c2ccccc2)no1)N1CCC(Cc2ccccc2)CC1 ZINC000058271510 563941376 /nfs/dbraw/zinc/94/13/76/563941376.db2.gz TWTUHIFZBBKXRM-QGZVFWFLSA-N 0 1 347.462 4.752 50 0 EJAAMN Cc1ncc(CN2CCC(c3nc4cc(Cl)ccc4o3)CC2)s1 ZINC000058356208 563943394 /nfs/dbraw/zinc/94/33/94/563943394.db2.gz LHXOUVBXAUIUMX-UHFFFAOYSA-N 0 1 347.871 4.626 50 0 EJAAMN CCn1cc([C@@H](C)NCc2cnc(-c3ccc(Cl)cc3)s2)cn1 ZINC000284217905 563963193 /nfs/dbraw/zinc/96/31/93/563963193.db2.gz CNXMRGRJWMCECZ-GFCCVEGCSA-N 0 1 346.887 4.531 50 0 EJAAMN CC(C)c1cc([C@H]2CCCN2Cc2c[nH]nc2-c2ccccc2)on1 ZINC000075448611 563967296 /nfs/dbraw/zinc/96/72/96/563967296.db2.gz BAACWUNVVXCWQE-GOSISDBHSA-N 0 1 336.439 4.525 50 0 EJAAMN Clc1cccc(Cl)c1-c1nc2ccnc(Br)c2[nH]1 ZINC000091301681 563975217 /nfs/dbraw/zinc/97/52/17/563975217.db2.gz MTTMYYSIMBNURF-UHFFFAOYSA-N 0 1 343.011 4.694 50 0 EJAAMN Cc1nn2c(nc(C)cc2Nc2ccncc2)c1-c1ccc(Cl)cc1 ZINC000005489928 564004719 /nfs/dbraw/zinc/00/47/19/564004719.db2.gz XIDQFKMWYMRLSP-UHFFFAOYSA-N 0 1 349.825 4.805 50 0 EJAAMN Cc1ncc([C@@H](C)N[C@H](C)c2ccc(-c3ccncc3)cc2)c(C)n1 ZINC000155770349 564008331 /nfs/dbraw/zinc/00/83/31/564008331.db2.gz PXFNPVVCCPEEIL-HUUCEWRRSA-N 0 1 332.451 4.567 50 0 EJAAMN Cc1ccc2[nH]c(-c3ccccc3)c(C(=O)c3ccccc3)c(=O)c2c1 ZINC000017111796 564011168 /nfs/dbraw/zinc/01/11/68/564011168.db2.gz HJHPOOGFIQIFRC-UHFFFAOYSA-N 0 1 339.394 4.735 50 0 EJAAMN Oc1ccccc1-c1nc2ccccc2c(Oc2ccc(F)cc2)n1 ZINC000000531210 564021634 /nfs/dbraw/zinc/02/16/34/564021634.db2.gz RTXQVGSLEOXNRD-UHFFFAOYSA-N 0 1 332.334 4.934 50 0 EJAAMN Cc1ccc(-c2noc(-c3cc(-c4cccc(Cl)c4)n[nH]3)n2)cc1 ZINC000046913988 564025489 /nfs/dbraw/zinc/02/54/89/564025489.db2.gz MZYQJIJDGINHDX-UHFFFAOYSA-N 0 1 336.782 4.756 50 0 EJAAMN Cc1ccc(-c2cc(-c3nc(-c4ccccc4C)no3)[nH]n2)cc1C ZINC000046914195 564025528 /nfs/dbraw/zinc/02/55/28/564025528.db2.gz IXTMLWGXDDUXKX-UHFFFAOYSA-N 0 1 330.391 4.719 50 0 EJAAMN Cc1cccc(-c2noc(-c3cc(-c4ccc(C)c(C)c4)n[nH]3)n2)c1 ZINC000046914202 564025541 /nfs/dbraw/zinc/02/55/41/564025541.db2.gz QPARTHUHZQUWIX-UHFFFAOYSA-N 0 1 330.391 4.719 50 0 EJAAMN COc1ccc([C@@H]2CCCN2Cc2nc(-c3ccccc3)oc2C)cc1 ZINC000048261329 564030279 /nfs/dbraw/zinc/03/02/79/564030279.db2.gz YCLNOYJOBBHCIB-NRFANRHFSA-N 0 1 348.446 4.996 50 0 EJAAMN CCCCN(CCCC)C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000006942265 564033857 /nfs/dbraw/zinc/03/38/57/564033857.db2.gz PAQRDHWVWDUGGI-UHFFFAOYSA-N 0 1 333.863 4.773 50 0 EJAAMN CCCC[C@@H]1C=CCN1C(=O)c1cccc(-c2c(C)n[nH]c2C2CC2)c1 ZINC000534667787 564061568 /nfs/dbraw/zinc/06/15/68/564061568.db2.gz HQEGAWUCDLLDOE-LJQANCHMSA-N 0 1 349.478 4.833 50 0 EJAAMN CCOc1ccc(CN2CCC[C@H]2c2ccc(F)cc2)cc1OCC ZINC000015837430 564076522 /nfs/dbraw/zinc/07/65/22/564076522.db2.gz UXUURPNKPKQVAL-IBGZPJMESA-N 0 1 343.442 4.960 50 0 EJAAMN CC1(C)CC[C@H](n2c(=O)c3ccccc3[nH]c2=S)c2ccccc21 ZINC000063776525 564076853 /nfs/dbraw/zinc/07/68/53/564076853.db2.gz DWCYLIDGTOSMRN-KRWDZBQOSA-N 0 1 336.460 4.720 50 0 EJAAMN CCOC(=O)Nc1nc2ccc(C=Cc3cccc(Cl)c3)cc2[nH]1 ZINC000000404593 564082619 /nfs/dbraw/zinc/08/26/19/564082619.db2.gz PBSIJIRWVRFYCN-VOTSOKGWSA-N 0 1 341.798 4.955 50 0 EJAAMN Cc1ccc(NC(=O)CCc2ccc3nc(C(C)C)[nH]c3c2)cc1C ZINC000075465744 564086068 /nfs/dbraw/zinc/08/60/68/564086068.db2.gz GKBRLUMRIIOJCP-UHFFFAOYSA-N 0 1 335.451 4.874 50 0 EJAAMN Cc1[nH]c2ccc(Cl)cc2c(=O)c1CN(C)Cc1ccccc1 ZINC000008700891 564087244 /nfs/dbraw/zinc/08/72/44/564087244.db2.gz JVDZOIGKKMCEHM-UHFFFAOYSA-N 0 1 326.827 4.534 50 0 EJAAMN FC(F)(F)c1ccc(NN=Cc2cccc(C(F)(F)F)c2)nc1 ZINC000252452504 564090085 /nfs/dbraw/zinc/09/00/85/564090085.db2.gz MIXAVXMXPYYZQP-UHFFFAOYSA-N 0 1 333.235 4.565 50 0 EJAAMN COc1cccc(-n2c(=S)[nH]nc2[C@H]2C[C@H]2c2ccc(C)cc2)c1 ZINC000006533830 564091667 /nfs/dbraw/zinc/09/16/67/564091667.db2.gz RZLCWCPSHYSWNR-IRXDYDNUSA-N 0 1 337.448 4.518 50 0 EJAAMN Cc1ccc2nc(S[C@@H](C)c3nnc(-c4cccs4)o3)[nH]c2c1 ZINC000006649740 564095171 /nfs/dbraw/zinc/09/51/71/564095171.db2.gz ZPQDWKLSOVYTIN-JTQLQIEISA-N 0 1 342.449 4.836 50 0 EJAAMN Cc1ccc2nc(S[C@@H](C)C(=O)c3ccc(F)c(F)c3)[nH]c2c1 ZINC000006657859 564095529 /nfs/dbraw/zinc/09/55/29/564095529.db2.gz IDYTUWMTSSCLML-JTQLQIEISA-N 0 1 332.375 4.513 50 0 EJAAMN Brc1ccccc1-c1n[nH]c(SCc2ccccc2)n1 ZINC000007252200 564106021 /nfs/dbraw/zinc/10/60/21/564106021.db2.gz IAIHVLNJFSFUML-UHFFFAOYSA-N 0 1 346.253 4.527 50 0 EJAAMN C[C@H]1C[C@@H](c2cccnc2)N(Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000170606863 564109595 /nfs/dbraw/zinc/10/95/95/564109595.db2.gz RDXJWDYYYVGSKU-AOMKIAJQSA-N 0 1 347.437 4.866 50 0 EJAAMN C[C@@H](N[C@H](C)c1ccc(Cl)cc1)C(=O)c1c[nH]c2ccccc12 ZINC000007538568 564109937 /nfs/dbraw/zinc/10/99/37/564109937.db2.gz QUXMBCQIXLQECP-CHWSQXEVSA-N 0 1 326.827 4.743 50 0 EJAAMN CC1(C)CC[C@@H](n2c(=O)c3ccccc3[nH]c2=S)c2ccccc21 ZINC000089919237 564115410 /nfs/dbraw/zinc/11/54/10/564115410.db2.gz DWCYLIDGTOSMRN-QGZVFWFLSA-N 0 1 336.460 4.720 50 0 EJAAMN c1coc([C@H](CNc2nsc3ccccc32)N2CCCCC2)c1 ZINC000007778863 564123070 /nfs/dbraw/zinc/12/30/70/564123070.db2.gz QAQVTPKEMVYMMP-HNNXBMFYSA-N 0 1 327.453 4.528 50 0 EJAAMN C[C@H]1CCCC[C@@H]1Nc1nc(-c2ccccc2O)nc2ccccc21 ZINC000002409187 564134612 /nfs/dbraw/zinc/13/46/12/564134612.db2.gz PSINKMOSZHXTLD-YOEHRIQHSA-N 0 1 333.435 4.993 50 0 EJAAMN CCOc1cccc2cc([C@H](C)N[C@H](C)c3cnc(C)nc3C)oc21 ZINC000095967183 564143018 /nfs/dbraw/zinc/14/30/18/564143018.db2.gz XYZVXJZMLQFPEP-OCCSQVGLSA-N 0 1 339.439 4.650 50 0 EJAAMN COc1cc([C@@H](C)NCc2ncccc2C)ccc1SC(F)F ZINC000095967777 564143077 /nfs/dbraw/zinc/14/30/77/564143077.db2.gz OTXYRKGTJFFCOP-GFCCVEGCSA-N 0 1 338.423 4.564 50 0 EJAAMN CC(C)N(CC(=O)Cc1cccc2ccccc21)Cc1ccccc1 ZINC000096027610 564145011 /nfs/dbraw/zinc/14/50/11/564145011.db2.gz IOXAIRGWPZCKBY-UHFFFAOYSA-N 0 1 331.459 4.862 50 0 EJAAMN Cc1ccc2c(CN(C)Cc3cccc(Cl)c3)cc(=O)oc2c1C ZINC000057395613 564153868 /nfs/dbraw/zinc/15/38/68/564153868.db2.gz IQMCSHLBPUKWEO-UHFFFAOYSA-N 0 1 341.838 4.695 50 0 EJAAMN Cc1nc2ccccc2nc1C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000057383071 564153890 /nfs/dbraw/zinc/15/38/90/564153890.db2.gz BNLGOXGNVQPWCK-UHFFFAOYSA-N 0 1 345.368 4.589 50 0 EJAAMN Cc1nc2ccccc2nc1CN(C)Cc1ccc(C(F)(F)F)cc1 ZINC000057383071 564153891 /nfs/dbraw/zinc/15/38/91/564153891.db2.gz BNLGOXGNVQPWCK-UHFFFAOYSA-N 0 1 345.368 4.589 50 0 EJAAMN CN(C(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1)c1cccc(Cl)c1 ZINC000057412167 564154011 /nfs/dbraw/zinc/15/40/11/564154011.db2.gz XATYZQVQHNFBNF-UHFFFAOYSA-N 0 1 346.217 4.660 50 0 EJAAMN Fc1ccc(-c2cc(-c3nc(-c4cccc(Cl)c4)no3)[nH]n2)cc1 ZINC000007998487 564162056 /nfs/dbraw/zinc/16/20/56/564162056.db2.gz HEEMQODRWHZTAR-UHFFFAOYSA-N 0 1 340.745 4.586 50 0 EJAAMN Cc1[nH]c(SCc2nc3ccccc3o2)nc1Cc1ccccc1 ZINC000008333675 564164559 /nfs/dbraw/zinc/16/45/59/564164559.db2.gz ZEPYLSPTTREWRC-UHFFFAOYSA-N 0 1 335.432 4.742 50 0 EJAAMN FC(F)(F)c1cccc([C@@H]2NCc3ccccc3-n3cccc32)c1 ZINC000055211413 214288065 /nfs/dbraw/zinc/28/80/65/214288065.db2.gz XFMJWEIWAAWRJQ-SFHVURJKSA-N 0 1 328.337 4.689 50 0 EJAAMN COc1cccc(-c2cnc(NCc3c(F)cccc3Cl)n2C)c1 ZINC000004678420 210245231 /nfs/dbraw/zinc/24/52/31/210245231.db2.gz AIHYAKKQMXGVCF-UHFFFAOYSA-N 0 1 345.805 4.500 50 0 EJAAMN CCOc1ccccc1CNc1ncc(-c2ccc(C)c(C)c2)n1C ZINC000004679071 210244720 /nfs/dbraw/zinc/24/47/20/210244720.db2.gz VVDBHCCPOKWZRD-UHFFFAOYSA-N 0 1 335.451 4.715 50 0 EJAAMN Cc1ccc2nc(-c3ccc(NC(=O)Cc4cccs4)cc3)[nH]c2c1 ZINC000004649259 210237578 /nfs/dbraw/zinc/23/75/78/210237578.db2.gz BSBPSAZERAVRKV-UHFFFAOYSA-N 0 1 347.443 4.781 50 0 aggregator EJAAMN COc1ccc2nc(Nc3nc4c(s3)C[C@@H](C)CC4)sc2c1 ZINC000004137727 210129953 /nfs/dbraw/zinc/12/99/53/210129953.db2.gz RMRUUBCNQNKVGB-VIFPVBQESA-N 0 1 331.466 4.630 50 0 EJAAMN Fc1ccc(-n2c(=S)[nH]nc2C23CC4CC(CC(C4)C2)C3)cc1 ZINC000003905368 210089964 /nfs/dbraw/zinc/08/99/64/210089964.db2.gz ARILRVFRJMXBAR-UHFFFAOYSA-N 0 1 329.444 4.537 50 0 EJAAMN FCCCN1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067491186 215154205 /nfs/dbraw/zinc/15/42/05/215154205.db2.gz GLOSDOSGDPTKSL-UHFFFAOYSA-N 0 1 336.410 4.726 50 0 EJAAMN Cc1ccc2nc(-c3ccccc3OCCCCn3ccnc3)[nH]c2c1 ZINC000067727358 215197807 /nfs/dbraw/zinc/19/78/07/215197807.db2.gz SAEBBZALVWLDPA-UHFFFAOYSA-N 0 1 346.434 4.594 50 0 EJAAMN O=C(Nc1cccc(Cl)c1)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000040478269 213313785 /nfs/dbraw/zinc/31/37/85/213313785.db2.gz WGDYFJZVLXNREC-UHFFFAOYSA-N 0 1 332.190 4.636 50 0 EJAAMN Cc1ccc2nc(-c3ccccc3NC(=O)c3cccc(F)c3)[nH]c2c1 ZINC000021362617 202065220 /nfs/dbraw/zinc/06/52/20/202065220.db2.gz HNSYNQNYUKSZTF-UHFFFAOYSA-N 0 1 345.377 4.930 50 0 EJAAMN Cc1ccc(Cl)cc1NC(=O)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000025042786 202126335 /nfs/dbraw/zinc/12/63/35/202126335.db2.gz XPUXDIIIERHFRU-UHFFFAOYSA-N 0 1 346.217 4.944 50 0 EJAAMN Cc1cc([C@H]2CCCN2Cc2cccc(OCc3ccccc3)c2)on1 ZINC000035511232 213034787 /nfs/dbraw/zinc/03/47/87/213034787.db2.gz HHHNBYOEYGWGLP-OAQYLSRUSA-N 0 1 348.446 4.899 50 0 EJAAMN Cc1ccc2nc(-c3cccc(NC(=O)c4ccccc4)c3)[nH]c2c1 ZINC000033328616 202258608 /nfs/dbraw/zinc/25/86/08/202258608.db2.gz REIZOCQYMAPWMD-UHFFFAOYSA-N 0 1 327.387 4.791 50 0 EJAAMN O=C(CC1CCCC1)Nc1c(C2CC2)n[nH]c1-c1cccc(F)c1 ZINC000034795071 202276922 /nfs/dbraw/zinc/27/69/22/202276922.db2.gz FXKBSICCZPXCSK-UHFFFAOYSA-N 0 1 327.403 4.612 50 0 EJAAMN Cc1ccc(-c2noc(-c3cc(-c4cc(C)ccc4C)n[nH]3)n2)cc1 ZINC000035504185 202305647 /nfs/dbraw/zinc/30/56/47/202305647.db2.gz PAQICYONTOVTJW-UHFFFAOYSA-N 0 1 330.391 4.719 50 0 EJAAMN COc1ccc([C@H](C)N[C@H](C)c2ccc(C)o2)cc1Br ZINC000037105974 213133486 /nfs/dbraw/zinc/13/34/86/213133486.db2.gz DHYHUZYNEYWXPK-NWDGAFQWSA-N 0 1 338.245 4.771 50 0 EJAAMN Cc1cccc(SC2CCN(Cc3ccnc(C(C)C)n3)CC2)c1 ZINC000072474047 216252000 /nfs/dbraw/zinc/25/20/00/216252000.db2.gz NLRVOBUZYIWADJ-UHFFFAOYSA-N 0 1 341.524 4.665 50 0 EJAAMN Cc1cc(C)cc(NC(=O)CCc2ccc3nc(C(C)C)[nH]c3c2)c1 ZINC000075465746 203314499 /nfs/dbraw/zinc/31/44/99/203314499.db2.gz NZXAYTSUOOZTGB-UHFFFAOYSA-N 0 1 335.451 4.874 50 0 EJAAMN Cc1cc(NC(=O)CCc2ccc3nc(C(C)C)[nH]c3c2)ccc1F ZINC000075465785 203315172 /nfs/dbraw/zinc/31/51/72/203315172.db2.gz OHSKNRINLOPQNX-UHFFFAOYSA-N 0 1 339.414 4.705 50 0 EJAAMN Cc1c(Cl)ccc2c1[nH+]cc(C(=O)[O-])c2N(C)Cc1ccccc1 ZINC000019795493 212069337 /nfs/dbraw/zinc/06/93/37/212069337.db2.gz OULNAJXXOXWGSK-UHFFFAOYSA-N 0 1 340.810 4.531 50 0 EJAAMN Cc1ncc([C@H](C)N[C@H](C)c2ccc(-c3ccncc3)cc2)c(C)n1 ZINC000155770475 206032890 /nfs/dbraw/zinc/03/28/90/206032890.db2.gz PXFNPVVCCPEEIL-CABCVRRESA-N 0 1 332.451 4.567 50 0 EJAAMN Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@@H]2NCc1ccoc1 ZINC000012314747 211343483 /nfs/dbraw/zinc/34/34/83/211343483.db2.gz XKNKQPNSLOWIGH-SFHVURJKSA-N 0 1 335.451 4.577 50 0 EJAAMN CCCC(=O)N1CCC[C@@H](c2[nH]ncc2-c2cccc3ccccc32)C1 ZINC000012242263 211329162 /nfs/dbraw/zinc/32/91/62/211329162.db2.gz MPSQCFQLNOTMJI-QGZVFWFLSA-N 0 1 347.462 4.736 50 0 EJAAMN CC(C)c1ccc(NC(=O)c2[nH]nc3c2CCc2ccccc2-3)cc1 ZINC000009728298 211119829 /nfs/dbraw/zinc/11/98/29/211119829.db2.gz GRMGRXFTABZDQG-UHFFFAOYSA-N 0 1 331.419 4.551 50 0 EJAAMN Cc1cccc(CNCc2cc3ccccc3nc2N2CCCCC2)c1 ZINC000095347333 218282934 /nfs/dbraw/zinc/28/29/34/218282934.db2.gz NGEDRGOUMHEPQS-UHFFFAOYSA-N 0 1 345.490 4.823 50 0 EJAAMN C[C@@H](c1ccccn1)N(Cc1ccc(Br)cc1)C1CC1 ZINC000095369317 218302005 /nfs/dbraw/zinc/30/20/05/218302005.db2.gz KGQMQRNMKKYVHB-ZDUSSCGKSA-N 0 1 331.257 4.570 50 0 EJAAMN Cc1nc(SCC(=O)c2ccc(C)cc2C)[nH]c1-c1ccccc1 ZINC000008813837 211007986 /nfs/dbraw/zinc/00/79/86/211007986.db2.gz YFEFAIATNZHZAM-UHFFFAOYSA-N 0 1 336.460 4.977 50 0 EJAAMN Cc1n[nH]c(C(F)F)c1NC(=O)Nc1cc(Cl)ccc1Cl ZINC000095455774 218399214 /nfs/dbraw/zinc/39/92/14/218399214.db2.gz OAQNVBHARFNKKD-UHFFFAOYSA-N 0 1 335.141 4.607 50 0 EJAAMN Cc1ccc(O)c(-c2cc(-c3ccc(Br)cc3)[nH]n2)c1 ZINC000000502199 563339095 /nfs/dbraw/zinc/33/90/95/563339095.db2.gz SNYHAPQAVXYIJJ-UHFFFAOYSA-N 0 1 329.197 4.520 50 0 EJAAMN Cc1nc(CSc2nc(-c3ccc(C(C)(C)C)cc3)n[nH]2)cs1 ZINC000000120777 563234064 /nfs/dbraw/zinc/23/40/64/563234064.db2.gz CBGUAMJWIUOZAZ-UHFFFAOYSA-N 0 1 344.509 4.826 50 0 EJAAMN Oc1ccccc1-c1nc2ccccc2c(Nc2ccccc2F)n1 ZINC000001246930 563381270 /nfs/dbraw/zinc/38/12/70/563381270.db2.gz WXRFHQWFZXASFB-UHFFFAOYSA-N 0 1 331.350 4.885 50 0 EJAAMN Cc1nn2c(nc(C(C)C)cc2Nc2ccncc2)c1-c1ccccc1 ZINC000002353642 563430158 /nfs/dbraw/zinc/43/01/58/563430158.db2.gz BNXRPZIDPGQNMM-UHFFFAOYSA-N 0 1 343.434 4.967 50 0 EJAAMN O=C(c1ccc(CN2CC=CC2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000002514920 563435871 /nfs/dbraw/zinc/43/58/71/563435871.db2.gz LZWBVIQGFJBZSV-UHFFFAOYSA-N 0 1 332.230 4.596 50 0 EJAAMN O=C(c1cccc(CN2CCCC2)c1)c1cccc(C(F)(F)F)c1 ZINC000002515078 563435892 /nfs/dbraw/zinc/43/58/92/563435892.db2.gz JYMDFNYHCNJADX-UHFFFAOYSA-N 0 1 333.353 4.532 50 0 EJAAMN CSc1ccc(C(=O)c2ccccc2CN2CCCCC2)cc1 ZINC000002515501 563436670 /nfs/dbraw/zinc/43/66/70/563436670.db2.gz HMIYPPGLPDDAMD-UHFFFAOYSA-N 0 1 325.477 4.625 50 0 EJAAMN O=C(c1cc(F)cc(Cl)c1)c1ccccc1CN1CCCCC1 ZINC000002515524 563436757 /nfs/dbraw/zinc/43/67/57/563436757.db2.gz PCJRZCVYBQHYIT-UHFFFAOYSA-N 0 1 331.818 4.696 50 0 EJAAMN O=C(c1ccc(Cl)c(Cl)c1)c1ccccc1CN1CCCC1 ZINC000002515583 563437116 /nfs/dbraw/zinc/43/71/16/563437116.db2.gz NZLISMODMBDZBN-UHFFFAOYSA-N 0 1 334.246 4.820 50 0 EJAAMN Cc1ccc2nc(-c3cccc(NC(=O)Cc4ccccc4)c3)[nH]c2c1 ZINC000002879350 563460485 /nfs/dbraw/zinc/46/04/85/563460485.db2.gz XCTBWOASQJFCPF-UHFFFAOYSA-N 0 1 341.414 4.720 50 0 EJAAMN Cc1ccc(-c2[nH]nc(C3CC3)c2NC(=O)c2cccs2)c(C)c1 ZINC000034794836 563479991 /nfs/dbraw/zinc/47/99/91/563479991.db2.gz FQLFSRNNIOHXRE-UHFFFAOYSA-N 0 1 337.448 4.885 50 0 EJAAMN CCCc1nc(SCc2cccc(Oc3ccccc3)c2)n[nH]1 ZINC000003905006 563490967 /nfs/dbraw/zinc/49/09/67/563490967.db2.gz MWFORWRRQCOLCY-UHFFFAOYSA-N 0 1 325.437 4.842 50 0 EJAAMN CCCc1n[nH]c(SCc2cccc(Oc3ccccc3)c2)n1 ZINC000003905006 563490972 /nfs/dbraw/zinc/49/09/72/563490972.db2.gz MWFORWRRQCOLCY-UHFFFAOYSA-N 0 1 325.437 4.842 50 0 EJAAMN Clc1cc(Cl)cc(-c2ccc(CNCc3ccncc3)o2)c1 ZINC000007365276 563600120 /nfs/dbraw/zinc/60/01/20/563600120.db2.gz BQQNRPLFAWAULD-UHFFFAOYSA-N 0 1 333.218 4.938 50 0 EJAAMN CC[N@@H+](Cc1ccccc1)Cc1c(C)[nH]c2c(C)c(C)ccc2c1=O ZINC000008581774 563649245 /nfs/dbraw/zinc/64/92/45/563649245.db2.gz UREBODTZKLAKPE-UHFFFAOYSA-N 0 1 334.463 4.888 50 0 EJAAMN Cc1ccc(C)c(NC(=O)[C@H](C)N(C)Cc2ccc3ccccc3c2)c1 ZINC000012806666 563674526 /nfs/dbraw/zinc/67/45/26/563674526.db2.gz LOCSQFVTNWLUJX-SFHVURJKSA-N 0 1 346.474 4.916 50 0 EJAAMN O=C(Nc1ccccc1Cl)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000014206993 563750780 /nfs/dbraw/zinc/75/07/80/563750780.db2.gz GBDBIWKLIXCYAO-UHFFFAOYSA-N 0 1 332.190 4.636 50 0 EJAAMN CSc1ccccc1C(=O)[C@@H]1CCCN(Cc2ccc(C)s2)C1 ZINC000014980555 563769986 /nfs/dbraw/zinc/76/99/86/563769986.db2.gz GWTHKUPYTCJEFB-OAHLLOKOSA-N 0 1 345.533 4.873 50 0 EJAAMN Cc1ccc2nc(SCc3cc4c(cc3Cl)OCO4)[nH]c2c1 ZINC000016348346 563809400 /nfs/dbraw/zinc/80/94/00/563809400.db2.gz NYNUYOFTQQZVCK-UHFFFAOYSA-N 0 1 332.812 4.546 50 0 EJAAMN CCc1n[nH]c(-c2cccc(F)c2)c1NC(=O)Nc1ccc(F)cc1 ZINC000034796646 563919710 /nfs/dbraw/zinc/91/97/10/563919710.db2.gz WSEUCOQTUVOTKQ-UHFFFAOYSA-N 0 1 342.349 4.561 50 0 EJAAMN O=C(Nc1c(C2CC2)n[nH]c1-c1ccccc1)c1ccccc1Cl ZINC000034796864 563919744 /nfs/dbraw/zinc/91/97/44/563919744.db2.gz ROYIAKBHHDZMEH-UHFFFAOYSA-N 0 1 337.810 4.860 50 0 EJAAMN Cc1ccc2c(CN3CC=C(c4ccccc4)CC3)cc(=O)oc2c1C ZINC000058158767 563938172 /nfs/dbraw/zinc/93/81/72/563938172.db2.gz MRMOXRHPRLBWFV-UHFFFAOYSA-N 0 1 345.442 4.699 50 0 EJAAMN COc1ccccc1C[C@H]1CCCN1Cc1csc(C(C)(C)C)n1 ZINC000058167885 563938863 /nfs/dbraw/zinc/93/88/63/563938863.db2.gz RSINPSFOFTUPCI-QGZVFWFLSA-N 0 1 344.524 4.656 50 0 EJAAMN CC(C)c1ccc(-c2cc([C@H]3CCN(Cc4ncc[nH]4)C3)ccn2)cc1 ZINC000065429842 563960853 /nfs/dbraw/zinc/96/08/53/563960853.db2.gz PUQAPAPDTOLPHA-FQEVSTJZSA-N 0 1 346.478 4.585 50 0 EJAAMN Cc1cc(C[C@H](C)n2cnc(-c3ccccc3)c2-c2ccco2)[nH]n1 ZINC000065494795 563961599 /nfs/dbraw/zinc/96/15/99/563961599.db2.gz JFPJHFWQNSQXIR-HNNXBMFYSA-N 0 1 332.407 4.645 50 0 EJAAMN CCOc1ccc(-c2cnc(NCc3ccccc3Cl)n2C)cc1 ZINC000004678784 563963861 /nfs/dbraw/zinc/96/38/61/563963861.db2.gz UQXFNZJXYVZXLT-UHFFFAOYSA-N 0 1 341.842 4.751 50 0 EJAAMN CC[C@@H](C)c1ccccc1NS(=O)(=O)c1cccc2cccnc21 ZINC000000205267 563988506 /nfs/dbraw/zinc/98/85/06/563988506.db2.gz KMDWWRICFITKHP-CQSZACIVSA-N 0 1 340.448 4.549 50 0 EJAAMN Cc1ccc(C)c(-c2csc(-c3cc4ccc(O)cc4oc3=O)n2)c1 ZINC000000368159 563991783 /nfs/dbraw/zinc/99/17/83/563991783.db2.gz JXUHTPZBLBTUAM-UHFFFAOYSA-N 0 1 349.411 4.906 50 0 EJAAMN Cc1ccc(-c2cc(C(=O)Nc3ccc(C)cc3Cl)[nH]n2)cc1 ZINC000044837801 564027280 /nfs/dbraw/zinc/02/72/80/564027280.db2.gz LRLPUVLOOXJSDW-UHFFFAOYSA-N 0 1 325.799 4.599 50 0 EJAAMN Cc1ccc(-c2cc(C(=O)Nc3cc(Cl)ccc3C)[nH]n2)cc1 ZINC000044837792 564027299 /nfs/dbraw/zinc/02/72/99/564027299.db2.gz XBKKVXOCEUGGDV-UHFFFAOYSA-N 0 1 325.799 4.599 50 0 EJAAMN Cc1ccc(-c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)[nH]n2)cc1 ZINC000044837768 564027303 /nfs/dbraw/zinc/02/73/03/564027303.db2.gz RJZUWIUWCPKXHG-UHFFFAOYSA-N 0 1 345.324 4.656 50 0 EJAAMN CCCCc1ccc([C@@H](NCc2cnn(C)c2)c2cccs2)cc1 ZINC000048314523 564030862 /nfs/dbraw/zinc/03/08/62/564030862.db2.gz ZZWNAQIUBLVIJB-HXUWFJFHSA-N 0 1 339.508 4.703 50 0 EJAAMN Cc1ccc2c(CN3CCC[C@H]3c3ccsc3)cc(=O)oc2c1 ZINC000048367589 564031567 /nfs/dbraw/zinc/03/15/67/564031567.db2.gz PUJUDTUTWQJWRK-KRWDZBQOSA-N 0 1 325.433 4.500 50 0 EJAAMN CCOc1ccc2nc(COc3cc(C)c(Cl)c(C)c3)[nH]c2c1 ZINC000082087022 564056206 /nfs/dbraw/zinc/05/62/06/564056206.db2.gz ZCZZJZIJEPONQY-UHFFFAOYSA-N 0 1 330.815 4.811 50 0 EJAAMN COc1cc(CN2CCC[C@H]2c2cccc(F)c2)ccc1OC(C)C ZINC000015837222 564076502 /nfs/dbraw/zinc/07/65/02/564076502.db2.gz BCTKUZFIWDTAMS-IBGZPJMESA-N 0 1 343.442 4.959 50 0 EJAAMN CCC(CC)C(=O)Nc1cc(-c2c(C)c3ccccc3n2CC)n[nH]1 ZINC000075332731 564081910 /nfs/dbraw/zinc/08/19/10/564081910.db2.gz XYGGPMZBZIWXEE-UHFFFAOYSA-N 0 1 338.455 4.734 50 0 EJAAMN CCCc1nc2ccc(CCC(=O)Nc3ccc(C)cc3C)cc2[nH]1 ZINC000075478711 564086614 /nfs/dbraw/zinc/08/66/14/564086614.db2.gz OWAQIBZXGOWGDW-UHFFFAOYSA-N 0 1 335.451 4.704 50 0 EJAAMN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)N1CCC[C@H]1c1cccs1 ZINC000242324334 564088514 /nfs/dbraw/zinc/08/85/14/564088514.db2.gz ZAFJFOWSYFHMPC-PBHICJAKSA-N 0 1 338.476 4.946 50 0 EJAAMN COc1ccc(Cl)cc1-c1n[nH]c(S[C@@H](C)c2ccccc2)n1 ZINC000006463778 564089372 /nfs/dbraw/zinc/08/93/72/564089372.db2.gz HFSJCDWHINZYSJ-NSHDSACASA-N 0 1 345.855 4.987 50 0 EJAAMN COc1ccc(-n2c(=S)[nH]nc2[C@H]2C[C@H]2c2ccc(C)cc2)cc1 ZINC000006533828 564091683 /nfs/dbraw/zinc/09/16/83/564091683.db2.gz SQYRRWLGSBFELZ-IRXDYDNUSA-N 0 1 337.448 4.518 50 0 EJAAMN CCOc1ccccc1CNc1ncc(-c2cccc(Cl)c2)n1C ZINC000006606043 564093107 /nfs/dbraw/zinc/09/31/07/564093107.db2.gz WORXFQXJHPNUDJ-UHFFFAOYSA-N 0 1 341.842 4.751 50 0 EJAAMN Cc1ccc(NC(=S)Nc2ccc3nc(C(C)(C)C)[nH]c3c2)cc1 ZINC000006653619 564095450 /nfs/dbraw/zinc/09/54/50/564095450.db2.gz QJGOPBVLSPVUSZ-UHFFFAOYSA-N 0 1 338.480 4.978 50 0 EJAAMN COc1ccc2nc(SCc3cc(-c4cccs4)on3)[nH]c2c1 ZINC000007318535 564106755 /nfs/dbraw/zinc/10/67/55/564106755.db2.gz FKSSYLJRKLAQOF-UHFFFAOYSA-N 0 1 343.433 4.580 50 0 EJAAMN Clc1ccc2sc(C3CCN(Cc4ccccn4)CC3)nc2c1 ZINC000008746896 564109842 /nfs/dbraw/zinc/10/98/42/564109842.db2.gz VAOYSZHYOFXTRE-UHFFFAOYSA-N 0 1 343.883 4.724 50 0 EJAAMN C[C@@H](N[C@@H](C)C(=O)c1c[nH]c2ccccc12)c1ccc(Cl)cc1 ZINC000007538560 564109941 /nfs/dbraw/zinc/10/99/41/564109941.db2.gz QUXMBCQIXLQECP-OLZOCXBDSA-N 0 1 326.827 4.743 50 0 EJAAMN Cc1ccc([C@@H](NCc2cccc3c2OCCCO3)C2CCCC2)o1 ZINC000095462846 564140869 /nfs/dbraw/zinc/14/08/69/564140869.db2.gz LGBCNMMUICBZAQ-FQEVSTJZSA-N 0 1 341.451 4.770 50 0 EJAAMN CC(C)n1cc([C@@H](C)N[C@@H](C)c2cccc(Br)c2)cn1 ZINC000095962849 564142833 /nfs/dbraw/zinc/14/28/33/564142833.db2.gz WEWNFUXQMYODCN-QWHCGFSZSA-N 0 1 336.277 4.638 50 0 EJAAMN Cc1ccccc1Cc1nnc(CN[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)o1 ZINC000095995939 564144249 /nfs/dbraw/zinc/14/42/49/564144249.db2.gz HDQQIMLHXLPZFI-ATZDWAIDSA-N 0 1 341.499 4.519 50 0 EJAAMN Cc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1C ZINC000057412049 564154023 /nfs/dbraw/zinc/15/40/23/564154023.db2.gz IKLYNFRZHOEUCR-UHFFFAOYSA-N 0 1 325.799 4.599 50 0 EJAAMN Cc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1Cl ZINC000057412144 564154039 /nfs/dbraw/zinc/15/40/39/564154039.db2.gz KGUMBEMUTLFSEL-UHFFFAOYSA-N 0 1 346.217 4.944 50 0 EJAAMN Cc1c(Cl)cccc1NC(=O)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000057412356 564154061 /nfs/dbraw/zinc/15/40/61/564154061.db2.gz XWVMHYXJGUXXFV-UHFFFAOYSA-N 0 1 346.217 4.944 50 0 EJAAMN Cc1cccc(Cl)c1NC(=O)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000057412364 564154067 /nfs/dbraw/zinc/15/40/67/564154067.db2.gz LIOVFJIRWRBQOP-UHFFFAOYSA-N 0 1 346.217 4.944 50 0 EJAAMN O=C(c1ccccc1)[C@@H]1Oc2ccccc2OC=C1c1ccccc1 ZINC000003138789 564155429 /nfs/dbraw/zinc/15/54/29/564155429.db2.gz DFHGQWDTWMIVQP-JOCHJYFZSA-N 0 1 328.367 4.750 50 0 EJAAMN CC(C)c1ccc(NC(=O)[C@H](c2ccccc2)N2CCCCC2)cc1 ZINC000003614191 564159224 /nfs/dbraw/zinc/15/92/24/564159224.db2.gz ALDAZNUUXXTOPK-NRFANRHFSA-N 0 1 336.479 4.976 50 0 EJAAMN CCC(=O)Nc1ccc2nc(-c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000003832992 564159445 /nfs/dbraw/zinc/15/94/45/564159445.db2.gz ODAGDJRNTYZRDK-UHFFFAOYSA-N 0 1 334.206 4.885 50 0 EJAAMN O=C(Nc1ccc2nc(-c3ccncc3)[nH]c2c1)c1ccccc1Cl ZINC000071280042 564174843 /nfs/dbraw/zinc/17/48/43/564174843.db2.gz BYDWVMMSPXXFDY-UHFFFAOYSA-N 0 1 348.793 4.531 50 0 EJAAMN O=C(Nc1c(C2CC2)n[nH]c1-c1ccccc1)c1cccc(Cl)c1 ZINC000034796875 564177531 /nfs/dbraw/zinc/17/75/31/564177531.db2.gz JGJKZPDOXJUIEU-UHFFFAOYSA-N 0 1 337.810 4.860 50 0 EJAAMN CCOc1cc(CN2CCC[C@@H]2c2ccc(Cl)cc2)ccc1O ZINC000015836738 568420153 /nfs/dbraw/zinc/42/01/53/568420153.db2.gz IQVMMMAFPKFDFR-QGZVFWFLSA-N 0 1 331.843 4.781 50 0 EJAAMN CCOc1ccc(CN(Cc2ccc3ccccc3n2)C2CC2)cc1 ZINC000055414994 214322628 /nfs/dbraw/zinc/32/26/28/214322628.db2.gz JLAMFHVRDXFEOU-UHFFFAOYSA-N 0 1 332.447 4.798 50 0 EJAAMN CCN(Cc1ccncc1)Cc1cccc(OCc2ccccc2)c1 ZINC000004676838 210245402 /nfs/dbraw/zinc/24/54/02/210245402.db2.gz XPZQUBVSPZDZEM-UHFFFAOYSA-N 0 1 332.447 4.683 50 0 EJAAMN Cn1c(-c2ccc(Cl)cc2)cnc1NCc1ccc(F)cc1F ZINC000004678460 210245213 /nfs/dbraw/zinc/24/52/13/210245213.db2.gz YKGCQCHIIINOOX-UHFFFAOYSA-N 0 1 333.769 4.631 50 0 EJAAMN Cc1ccc(-c2cnc(NCc3cccc(Cl)c3)n2C)cc1C ZINC000004678747 210244760 /nfs/dbraw/zinc/24/47/60/210244760.db2.gz FHJFQOWDYMQVLP-UHFFFAOYSA-N 0 1 325.843 4.969 50 0 EJAAMN Cc1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)n[nH]2)cc1C ZINC000057412457 214426703 /nfs/dbraw/zinc/42/67/03/214426703.db2.gz LQUPOCABPXFHRD-UHFFFAOYSA-N 0 1 325.799 4.599 50 0 EJAAMN Cc1nn(-c2ccccc2)c(C)c1CN(C)C/C=C\c1ccccc1 ZINC000098054002 219074641 /nfs/dbraw/zinc/07/46/41/219074641.db2.gz CUTDCJVLEYUVNJ-RAXLEYEMSA-N 0 1 331.463 4.634 50 0 EJAAMN Cc1cc(C[C@@H](C)n2cnc(-c3ccccc3)c2-c2ccco2)[nH]n1 ZINC000065494793 214932850 /nfs/dbraw/zinc/93/28/50/214932850.db2.gz JFPJHFWQNSQXIR-OAHLLOKOSA-N 0 1 332.407 4.645 50 0 EJAAMN C/C=C/CN1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067820247 215221417 /nfs/dbraw/zinc/22/14/17/215221417.db2.gz KHZRALOXYUMPIM-NSCUHMNNSA-N 0 1 330.431 4.943 50 0 EJAAMN CC(=O)c1c(C)n(-c2ccccc2)c2cc(Br)c(O)cc12 ZINC000068755296 215330922 /nfs/dbraw/zinc/33/09/22/215330922.db2.gz BKDRBYOQHXFQME-UHFFFAOYSA-N 0 1 344.208 4.610 50 0 EJAAMN Cc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)c(C)c1 ZINC000040478252 213314619 /nfs/dbraw/zinc/31/46/19/213314619.db2.gz DZCOJKGGLROFIP-UHFFFAOYSA-N 0 1 325.799 4.599 50 0 EJAAMN CSc1cccc(NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)c1 ZINC000040478258 213314241 /nfs/dbraw/zinc/31/42/41/213314241.db2.gz XNANIEUQURXVKD-UHFFFAOYSA-N 0 1 343.839 4.704 50 0 EJAAMN Cc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)c(Cl)c1 ZINC000040478283 213313811 /nfs/dbraw/zinc/31/38/11/213313811.db2.gz ZWNXFCXBQQJOQE-UHFFFAOYSA-N 0 1 346.217 4.944 50 0 EJAAMN C[C@H](c1nc2ccccc2n1Cc1ccccc1Cl)N1CCCC1 ZINC000039916905 213243252 /nfs/dbraw/zinc/24/32/52/213243252.db2.gz AGOGKTHUGYMEGG-OAHLLOKOSA-N 0 1 339.870 4.895 50 0 EJAAMN COc1ccc([C@@H]2CCCCCN2Cc2nc3ccccc3o2)cc1 ZINC000024339837 202115222 /nfs/dbraw/zinc/11/52/22/202115222.db2.gz WKIXYSVEHALTBF-IBGZPJMESA-N 0 1 336.435 4.954 50 0 EJAAMN CC(C)Oc1ccc(Br)cc1CNCc1ccccc1 ZINC000004857818 201360012 /nfs/dbraw/zinc/36/00/12/201360012.db2.gz XWPMIVULRZQAEX-UHFFFAOYSA-N 0 1 334.257 4.526 50 0 EJAAMN CCCCOc1ccc(CN2CCC[C@H]2c2c(C)noc2C)cc1 ZINC000021720314 212244277 /nfs/dbraw/zinc/24/42/77/212244277.db2.gz OYCAJFUOQZHAEY-IBGZPJMESA-N 0 1 328.456 4.807 50 0 EJAAMN Cc1c([C@@H](C)N[C@@H](C)c2ccncc2)cnn1-c1cccc(Cl)c1 ZINC000089544947 217811160 /nfs/dbraw/zinc/81/11/60/217811160.db2.gz JPUFRYKDVHSEAH-UONOGXRCSA-N 0 1 340.858 4.641 50 0 EJAAMN CN(Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)C1CCCCC1 ZINC000012112283 211290698 /nfs/dbraw/zinc/29/06/98/211290698.db2.gz JHMAXMLEHXVPAJ-UHFFFAOYSA-N 0 1 339.361 4.520 50 0 EJAAMN O=C(CN1CCC[C@@H]1c1cccs1)C12CC3CC(CC(C3)C1)C2 ZINC000009377407 211077568 /nfs/dbraw/zinc/07/75/68/211077568.db2.gz AKMXKIOBBUSCTE-VQBCORBOSA-N 0 1 329.509 4.671 50 0 EJAAMN C[C@@H](N[C@H](c1ccccc1)C1CCCCC1)c1nnc2ccccn21 ZINC000095350757 218284610 /nfs/dbraw/zinc/28/46/10/218284610.db2.gz XMNOPTVIEGMIKN-OXQOHEQNSA-N 0 1 334.467 4.702 50 0 EJAAMN Cc1ccc(CN[C@H](C)c2ccc(Oc3cccnc3)c(F)c2)nc1 ZINC000095416690 218355999 /nfs/dbraw/zinc/35/59/99/218355999.db2.gz OPFHXODUGVALLU-OAHLLOKOSA-N 0 1 337.398 4.567 50 0 EJAAMN CC[C@@H](c1ccncc1)N(C)Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000095446808 218391025 /nfs/dbraw/zinc/39/10/25/218391025.db2.gz XFSQLIDUCUYMLK-IBGZPJMESA-N 0 1 341.842 4.973 50 0 EJAAMN O=C(CN1CCCCC1)C12C[C@@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 ZINC000005043971 210373052 /nfs/dbraw/zinc/37/30/52/210373052.db2.gz OKUDWNOUPOGCKG-MGAZVUHYSA-N 0 1 337.507 4.580 50 0 EJAAMN O=C1C(=Nc2ccccc2)C[C@@H](c2ccccc2)N1c1ccccc1 ZINC000000134174 563239842 /nfs/dbraw/zinc/23/98/42/563239842.db2.gz QIBLHYFLABKMHD-NRFANRHFSA-N 0 1 326.399 4.771 50 0 EJAAMN O=C1C(=Nc2ccccc2)C[C@H](c2cccc(F)c2)N1c1ccccc1 ZINC000000191510 563256652 /nfs/dbraw/zinc/25/66/52/563256652.db2.gz MAPYSZNNGNHTEB-OAQYLSRUSA-N 0 1 344.389 4.910 50 0 EJAAMN C[C@H]1Oc2ccccc2OC1C(=O)N(c1ccccc1)c1ccccc1 ZINC000000468690 563330089 /nfs/dbraw/zinc/33/00/89/563330089.db2.gz UFUHJAURAOIODI-IIBYNOLFSA-N 0 1 345.398 4.580 50 0 EJAAMN Oc1ccccc1-c1nc2ccccc2c(Nc2cccc(F)c2)n1 ZINC000001302734 563383188 /nfs/dbraw/zinc/38/31/88/563383188.db2.gz MUBZHTSGAUKMLB-UHFFFAOYSA-N 0 1 331.350 4.885 50 0 EJAAMN O=C(c1ccc(F)c(Cl)c1)c1ccccc1CN1CCCCC1 ZINC000002515516 563436577 /nfs/dbraw/zinc/43/65/77/563436577.db2.gz HBLVZUUDHSILFZ-UHFFFAOYSA-N 0 1 331.818 4.696 50 0 EJAAMN O=C(c1ccc(Cl)c(F)c1)c1ccccc1CN1CCCCC1 ZINC000002515515 563436687 /nfs/dbraw/zinc/43/66/87/563436687.db2.gz MMENGZHREUNMNM-UHFFFAOYSA-N 0 1 331.818 4.696 50 0 EJAAMN O=C(c1cccc(C(F)(F)F)c1)c1ccccc1CN1CCCC1 ZINC000002515574 563437157 /nfs/dbraw/zinc/43/71/57/563437157.db2.gz NUIPAALBGFIBCP-UHFFFAOYSA-N 0 1 333.353 4.532 50 0 EJAAMN Cc1ccc2nc(-c3cc4cc(Cl)cc(Cl)c4oc3=O)[nH]c2c1 ZINC000002884882 563461390 /nfs/dbraw/zinc/46/13/90/563461390.db2.gz TZGYPQYSSRILKS-UHFFFAOYSA-N 0 1 345.185 4.952 50 0 EJAAMN O=C(Nc1c(C2CC2)n[nH]c1-c1cccc(Cl)c1)C1CCCC1 ZINC000034793687 563479198 /nfs/dbraw/zinc/47/91/98/563479198.db2.gz JPMSAEHIQUXEOD-UHFFFAOYSA-N 0 1 329.831 4.736 50 0 EJAAMN Cc1c([C@@H](C)NCc2cccc(Cl)c2)cnn1-c1ccccc1 ZINC000012710093 563668182 /nfs/dbraw/zinc/66/81/82/563668182.db2.gz BCMIAPXOEBTJCQ-CQSZACIVSA-N 0 1 325.843 4.685 50 0 EJAAMN Cc1ccc(-c2noc(CN(Cc3ccccc3)[C@@H](C)C3CC3)n2)cc1 ZINC000032819977 563757592 /nfs/dbraw/zinc/75/75/92/563757592.db2.gz KWDJJXUHNVWVPE-KRWDZBQOSA-N 0 1 347.462 4.846 50 0 EJAAMN COc1ccc([C@H]2CCCN2[C@@H](C)C(=O)c2c[nH]c3ccccc32)cc1 ZINC000015452709 563784624 /nfs/dbraw/zinc/78/46/24/563784624.db2.gz PBWZGCKMUODASB-YCRPNKLZSA-N 0 1 348.446 4.585 50 0 EJAAMN c1ccc(OCCCN2CCC[C@H]2c2nc3ccccc3s2)cc1 ZINC000070040809 563904462 /nfs/dbraw/zinc/90/44/62/563904462.db2.gz VTZQWIZKMNJGAP-SFHVURJKSA-N 0 1 338.476 4.902 50 0 EJAAMN CN(CC(=O)Nc1ccc(Cl)cc1Cl)[C@@H]1CCc2ccccc21 ZINC000029483112 563906841 /nfs/dbraw/zinc/90/68/41/563906841.db2.gz WZUJGLCWBQEIII-QGZVFWFLSA-N 0 1 349.261 4.551 50 0 EJAAMN Cc1cccc(C)c1NC(=O)CNC(c1ccccc1)c1ccccc1 ZINC000058163340 563938625 /nfs/dbraw/zinc/93/86/25/563938625.db2.gz YCRFFXLQQHYYJW-UHFFFAOYSA-N 0 1 344.458 4.621 50 0 EJAAMN CCCCN1Cc2ccc(NC(=O)/C=C/c3cccs3)cc2C1 ZINC000058309532 563942188 /nfs/dbraw/zinc/94/21/88/563942188.db2.gz RMONFMYBVRGADC-CMDGGOBGSA-N 0 1 326.465 4.516 50 0 EJAAMN CCCCc1ncc(CN2CCC[C@H]2c2nc3ccccc3s2)[nH]1 ZINC000077318849 563968876 /nfs/dbraw/zinc/96/88/76/563968876.db2.gz ZKGCEVKCDLQJMU-INIZCTEOSA-N 0 1 340.496 4.699 50 0 EJAAMN CCc1nc2ccc(CCC(=O)N[C@@H](C)c3ccc(C)cc3C)cc2[nH]1 ZINC000033290548 563973017 /nfs/dbraw/zinc/97/30/17/563973017.db2.gz KDGWZFIPJJIWRK-INIZCTEOSA-N 0 1 349.478 4.552 50 0 EJAAMN Cc1ccc(OCc2nc3ccc(Br)cc3[nH]2)cc1C ZINC000033327175 563974126 /nfs/dbraw/zinc/97/41/26/563974126.db2.gz MGIIIUNPRQJRNI-UHFFFAOYSA-N 0 1 331.213 4.521 50 0 EJAAMN Cc1ccc(OCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(C(C)(C)C)c1 ZINC000016247194 563976168 /nfs/dbraw/zinc/97/61/68/563976168.db2.gz QABLTKMPCIUMRR-HDICACEKSA-N 0 1 333.516 4.561 50 0 EJAAMN O=C(CSc1nc(C2CC2)n[nH]1)c1ccc(C2CCCCC2)cc1 ZINC000011471955 563976370 /nfs/dbraw/zinc/97/63/70/563976370.db2.gz QHJBRCHTZIEKQR-UHFFFAOYSA-N 0 1 341.480 4.705 50 0 EJAAMN O=C(CSc1n[nH]c(C2CC2)n1)c1ccc(C2CCCCC2)cc1 ZINC000011471955 563976371 /nfs/dbraw/zinc/97/63/71/563976371.db2.gz QHJBRCHTZIEKQR-UHFFFAOYSA-N 0 1 341.480 4.705 50 0 EJAAMN c1nc(CN2CCCC(c3ccccc3)(c3ccccc3)C2)cs1 ZINC000095525969 563977469 /nfs/dbraw/zinc/97/74/69/563977469.db2.gz PNCZFDXPVXKVPA-UHFFFAOYSA-N 0 1 334.488 4.725 50 0 EJAAMN c1ccc(OCCCN2CCC[C@@H]2c2nc3ccccc3s2)cc1 ZINC000061780405 564001356 /nfs/dbraw/zinc/00/13/56/564001356.db2.gz VTZQWIZKMNJGAP-GOSISDBHSA-N 0 1 338.476 4.902 50 0 EJAAMN CN1C[C@H](C(=O)c2ccccc2Cl)[C@@H](c2ccc(Cl)cc2)C1 ZINC000005698949 564019325 /nfs/dbraw/zinc/01/93/25/564019325.db2.gz TZYCOGSJLNLMCK-CVEARBPZSA-N 0 1 334.246 4.522 50 0 EJAAMN Cc1ccc(-c2cc(-c3nc(-c4cccc(F)c4)no3)[nH]n2)cc1C ZINC000046914255 564025532 /nfs/dbraw/zinc/02/55/32/564025532.db2.gz JNTIMONVJZKTBX-UHFFFAOYSA-N 0 1 334.354 4.550 50 0 EJAAMN Cc1ccc(-c2cc(-c3nc(-c4ccccc4C)no3)[nH]n2)c(C)c1 ZINC000046914147 564025535 /nfs/dbraw/zinc/02/55/35/564025535.db2.gz CJLDKFPBGKOHPY-UHFFFAOYSA-N 0 1 330.391 4.719 50 0 EJAAMN Cc1ccc(-c2cc(-c3nc(-c4ccc(F)cc4)no3)[nH]n2)c(C)c1 ZINC000046914182 564025537 /nfs/dbraw/zinc/02/55/37/564025537.db2.gz AHIFRHMIVJIOME-UHFFFAOYSA-N 0 1 334.354 4.550 50 0 EJAAMN COc1ccc2nc(SCc3cc(-c4ccccc4)on3)[nH]c2c1 ZINC000007219968 564034259 /nfs/dbraw/zinc/03/42/59/564034259.db2.gz HLAJAHPQSJNTEW-UHFFFAOYSA-N 0 1 337.404 4.519 50 0 EJAAMN Cn1c(-c2ccc(-c3ccccc3)cc2)cnc1NCc1cccnc1 ZINC000000819127 564035228 /nfs/dbraw/zinc/03/52/28/564035228.db2.gz BJEDJKIYEQKQBV-UHFFFAOYSA-N 0 1 340.430 4.761 50 0 EJAAMN O=C(Nc1ccc2nc(-c3ccc(Cl)o3)[nH]c2c1)c1cccs1 ZINC000231426823 564051198 /nfs/dbraw/zinc/05/11/98/564051198.db2.gz OGFZSPWCGGFXPS-UHFFFAOYSA-N 0 1 343.795 4.790 50 0 EJAAMN Cc1ccc(-c2n[nH]c(SCCCC(=O)c3cccs3)n2)cc1 ZINC000005866143 564056717 /nfs/dbraw/zinc/05/67/17/564056717.db2.gz FWEQNRLCWBXMHD-UHFFFAOYSA-N 0 1 343.477 4.597 50 0 EJAAMN Cc1ccc(-c2n[nH]c(SCc3nc4ccccc4s3)n2)cc1 ZINC000005865912 564056746 /nfs/dbraw/zinc/05/67/46/564056746.db2.gz OLQBHFILRAQSSK-UHFFFAOYSA-N 0 1 338.461 4.682 50 0 EJAAMN C[C@@H](NC(=O)[C@H](C)N(C)Cc1ccc2ccccc2c1)c1ccccc1 ZINC000012767390 564068254 /nfs/dbraw/zinc/06/82/54/564068254.db2.gz YZPQRRYNVAHOEH-MSOLQXFVSA-N 0 1 346.474 4.538 50 0 EJAAMN CCOc1ccc(CN2CCC[C@H]2c2cccc(F)c2)cc1OC ZINC000015837296 564076499 /nfs/dbraw/zinc/07/64/99/564076499.db2.gz VVLPGXSZQGKQGR-SFHVURJKSA-N 0 1 329.415 4.570 50 0 EJAAMN COc1ccc(-c2n[nH]c(SCc3c(F)cccc3Cl)n2)cc1 ZINC000006141901 564076744 /nfs/dbraw/zinc/07/67/44/564076744.db2.gz SJQDXFVVRYQOQG-UHFFFAOYSA-N 0 1 349.818 4.565 50 0 EJAAMN O[C@@H](c1ccccc1)[C@@H](NCc1ccccc1Cl)c1ccccc1 ZINC000075283230 564081506 /nfs/dbraw/zinc/08/15/06/564081506.db2.gz QZLPISWAPZYBBS-SFTDATJTSA-N 0 1 337.850 4.905 50 0 EJAAMN C[C@H](C(=O)Nc1cccc(Cl)c1)N1CCC[C@H]1c1cccs1 ZINC000242284616 564088510 /nfs/dbraw/zinc/08/85/10/564088510.db2.gz YIDXPZFRIWKIBD-DOMZBBRYSA-N 0 1 334.872 4.566 50 0 EJAAMN Cc1c([C@H](C)N[C@@H](C)c2ccncc2)cnn1-c1cccc(Cl)c1 ZINC000089544950 564092792 /nfs/dbraw/zinc/09/27/92/564092792.db2.gz JPUFRYKDVHSEAH-KBPBESRZSA-N 0 1 340.858 4.641 50 0 EJAAMN Cc1ccc2nc(S[C@H](C)C(=O)c3ccc(F)c(F)c3)[nH]c2c1 ZINC000006657860 564095531 /nfs/dbraw/zinc/09/55/31/564095531.db2.gz IDYTUWMTSSCLML-SNVBAGLBSA-N 0 1 332.375 4.513 50 0 EJAAMN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)[N@H+]1CCC[C@@H]1c1cccs1 ZINC000057381182 564153850 /nfs/dbraw/zinc/15/38/50/564153850.db2.gz ZAFJFOWSYFHMPC-WMLDXEAASA-N 0 1 338.476 4.946 50 0 EJAAMN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)N1CCC[C@@H]1c1cccs1 ZINC000057381182 564153851 /nfs/dbraw/zinc/15/38/51/564153851.db2.gz ZAFJFOWSYFHMPC-WMLDXEAASA-N 0 1 338.476 4.946 50 0 EJAAMN Cc1ccc(NC(=O)c2cc(-c3ccccc3Cl)n[nH]2)c(C)c1 ZINC000057412204 564154095 /nfs/dbraw/zinc/15/40/95/564154095.db2.gz HZHKQCUXORGODN-UHFFFAOYSA-N 0 1 325.799 4.599 50 0 EJAAMN Cc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3Cl)[nH]n2)cc1 ZINC000057477043 564154450 /nfs/dbraw/zinc/15/44/50/564154450.db2.gz WIUOHEKDLMZURT-UHFFFAOYSA-N 0 1 346.217 4.944 50 0 EJAAMN Cc1scc(CN2CCN(c3cc(Cl)ccc3C)CC2)c1C ZINC000057992720 564157055 /nfs/dbraw/zinc/15/70/55/564157055.db2.gz IQTRPLZHGZUMQL-UHFFFAOYSA-N 0 1 334.916 4.649 50 0 EJAAMN COc1ccc(Cl)cc1-c1n[nH]c(SCc2cccc(F)c2)n1 ZINC000003533790 564158827 /nfs/dbraw/zinc/15/88/27/564158827.db2.gz UVBQAEAOIWFZGH-UHFFFAOYSA-N 0 1 349.818 4.565 50 0 EJAAMN c1csc(-c2n[nH]c(SCc3coc(-c4cccs4)n3)n2)c1 ZINC000008850007 564167500 /nfs/dbraw/zinc/16/75/00/564167500.db2.gz MDUWBPJXAQDBAO-UHFFFAOYSA-N 0 1 346.462 4.542 50 0 EJAAMN O=C(CN1CCC[C@H]1c1cccs1)C12CC3CC(CC(C3)C1)C2 ZINC000009377406 564173189 /nfs/dbraw/zinc/17/31/89/564173189.db2.gz AKMXKIOBBUSCTE-FAKMSMKASA-N 0 1 329.509 4.671 50 0 EJAAMN C[C@H]1C[C@H]1c1ccc(CN(C(=O)c2ccc(O)c(Cl)c2)C2CC2)o1 ZINC000071811821 564175591 /nfs/dbraw/zinc/17/55/91/564175591.db2.gz USWPIBHHGRRSJT-XHDPSFHLSA-N 0 1 345.826 4.567 50 0 EJAAMN Cn1c(-c2ccc(F)cc2)cnc1NCc1ccc(C(F)(F)F)cc1 ZINC000004678523 210244070 /nfs/dbraw/zinc/24/40/70/210244070.db2.gz FIJXYOPEPAMTQY-UHFFFAOYSA-N 0 1 349.331 4.857 50 0 EJAAMN COc1cccc2sc(Nc3nc4c(s3)C[C@H](C)CC4)nc21 ZINC000004121608 210125931 /nfs/dbraw/zinc/12/59/31/210125931.db2.gz BWWANEKEBKYIPD-SECBINFHSA-N 0 1 331.466 4.630 50 0 EJAAMN CC(C)c1ccc(NC(=O)[C@@H](c2ccccc2)N2CCCCC2)cc1 ZINC000003614186 210065601 /nfs/dbraw/zinc/06/56/01/210065601.db2.gz ALDAZNUUXXTOPK-OAQYLSRUSA-N 0 1 336.479 4.976 50 0 EJAAMN O=C(c1cc2ccccc2o1)[C@H](Cc1ccccc1)N1CCCCC1 ZINC000003355886 210016578 /nfs/dbraw/zinc/01/65/78/210016578.db2.gz DOCXWYDRIZSBRT-IBGZPJMESA-N 0 1 333.431 4.713 50 0 EJAAMN C[C@H](c1nc(C(C)(C)C)no1)N(C)CC12CC3CC(CC(C3)C1)C2 ZINC000040057091 213255152 /nfs/dbraw/zinc/25/51/52/213255152.db2.gz PCEKUMCEQMRZMI-XXWNAHEMSA-N 0 1 331.504 4.576 50 0 EJAAMN CCCCN[C@H]1c2ccccc2C(=O)N1[C@@H](C)CCc1ccccc1 ZINC000020149701 202033966 /nfs/dbraw/zinc/03/39/66/202033966.db2.gz BAEHIFDGFKNAKZ-LAUBAEHRSA-N 0 1 336.479 4.552 50 0 EJAAMN Cc1ccc2nc([C@@H]3CCCN3Cc3cncn3C3CCCC3)[nH]c2c1 ZINC000072150435 216038371 /nfs/dbraw/zinc/03/83/71/216038371.db2.gz DCOHRZBYRRKVAP-FQEVSTJZSA-N 0 1 349.482 4.520 50 0 EJAAMN Cc1ccccc1[C@H]1c2cccn2CCCN1Cc1ccccc1F ZINC000036348302 202321597 /nfs/dbraw/zinc/32/15/97/202321597.db2.gz HXKPTQQHXDSKCO-QFIPXVFZSA-N 0 1 334.438 4.931 50 0 EJAAMN COc1cccc([C@@H]2CCN2Cc2c[nH]nc2-c2ccc(C)c(C)c2)c1 ZINC000072409445 216200792 /nfs/dbraw/zinc/20/07/92/216200792.db2.gz IKJVEXWJHOFMAX-NRFANRHFSA-N 0 1 347.462 4.649 50 0 EJAAMN CN(Cc1cnc(C2CCCCC2)nc1)Cc1cccc2cnccc21 ZINC000072463161 216245059 /nfs/dbraw/zinc/24/50/59/216245059.db2.gz NRNPOJUXOMWGFF-UHFFFAOYSA-N 0 1 346.478 4.705 50 0 EJAAMN Oc1ccc(Br)cc1-c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000013126319 201364646 /nfs/dbraw/zinc/36/46/46/201364646.db2.gz YLNHOUUJLKNPFC-UHFFFAOYSA-N 0 1 349.615 4.865 50 0 EJAAMN Cc1ccc(CN2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000022734519 212319762 /nfs/dbraw/zinc/31/97/62/212319762.db2.gz RDOVULMAZOVCLL-UHFFFAOYSA-N 0 1 349.305 4.620 50 0 EJAAMN O=C1CN(c2ccc(Br)cc2)N=C1c1ccc(Cl)cc1 ZINC000215850271 241150754 /nfs/dbraw/zinc/15/07/54/241150754.db2.gz UYRKZXFQSGTXST-UHFFFAOYSA-N 0 1 349.615 4.661 50 0 EJAAMN Cc1ccc2nc(-c3ccccc3NC(=O)c3ccccc3F)[nH]c2c1 ZINC000021362548 212221890 /nfs/dbraw/zinc/22/18/90/212221890.db2.gz ZFOUVMNNLGINAP-UHFFFAOYSA-N 0 1 345.377 4.930 50 0 EJAAMN C[C@@H](c1nc2ccccc2n1CCOc1ccccc1)N1CCCCC1 ZINC000006665012 201690057 /nfs/dbraw/zinc/69/00/57/201690057.db2.gz WROIWPZRFNQFBL-SFHVURJKSA-N 0 1 349.478 4.662 50 0 EJAAMN CCCCN[C@@H]1c2ccccc2C(=O)N1[C@@H](C)CCc1ccccc1 ZINC000020149702 212106468 /nfs/dbraw/zinc/10/64/68/212106468.db2.gz BAEHIFDGFKNAKZ-UWJYYQICSA-N 0 1 336.479 4.552 50 0 EJAAMN CC(C)(C)C(O)=C(C(=O)C(F)(F)F)C12CC3CC(CC(C3)C1)C2 ZINC000019874254 212078212 /nfs/dbraw/zinc/07/82/12/212078212.db2.gz WSASGHMQGPVLPU-RQYMUSGFSA-N 0 1 330.390 4.566 50 0 EJAAMN CC(C)c1ccc(CN2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000019358784 212021538 /nfs/dbraw/zinc/02/15/38/212021538.db2.gz PCFDPQPZRREGSR-RMKNXTFCSA-N 0 1 334.507 4.641 50 0 EJAAMN Cc1ccc2nc(-c3sc(=S)n(-c4ccccc4)c3N)[nH]c2c1 ZINC000015684816 211844297 /nfs/dbraw/zinc/84/42/97/211844297.db2.gz LBBANRGLRMEEQN-UHFFFAOYSA-N 0 1 338.461 4.702 50 0 EJAAMN COc1ccc2nc(SCc3ccc(Br)cc3)[nH]c2c1 ZINC000000348621 206233826 /nfs/dbraw/zinc/23/38/26/206233826.db2.gz LWYPYTJNIOQAJR-UHFFFAOYSA-N 0 1 349.253 4.626 50 0 EJAAMN Cc1ccc2nc(SCC(=O)c3ccc4ccccc4c3)[nH]c2c1 ZINC000012950721 211493054 /nfs/dbraw/zinc/49/30/54/211493054.db2.gz OWUJPJLNYPQPSV-UHFFFAOYSA-N 0 1 332.428 5.000 50 0 EJAAMN C[C@@H](c1nc2cc(Cl)ccc2n1Cc1ccccc1)N1CCCC1 ZINC000012520391 211397453 /nfs/dbraw/zinc/39/74/53/211397453.db2.gz CUFMAJNGORLFDW-HNNXBMFYSA-N 0 1 339.870 4.895 50 0 EJAAMN c1ccc(COc2cccc(CN3CCc4ccccc4C3)c2)cc1 ZINC000012489690 211393627 /nfs/dbraw/zinc/39/36/27/211393627.db2.gz LDYANYNPRZWVIX-UHFFFAOYSA-N 0 1 329.443 4.824 50 0 EJAAMN Cc1c(C)n(Cc2ccncc2)c2nc(-c3ccccc3)c(C)c(N)c12 ZINC000012324806 211348102 /nfs/dbraw/zinc/34/81/02/211348102.db2.gz AMFLESKGOMFHPP-UHFFFAOYSA-N 0 1 342.446 4.654 50 0 EJAAMN Cc1c(C)n(Cc2cccnc2)c2nc(-c3ccccc3)c(C)c(N)c12 ZINC000012324466 211347401 /nfs/dbraw/zinc/34/74/01/211347401.db2.gz KHBQYFPGLSFIGT-UHFFFAOYSA-N 0 1 342.446 4.654 50 0 EJAAMN CCCC(=O)N1CCC[C@H](c2[nH]ncc2-c2cccc3ccccc32)C1 ZINC000012242265 211329596 /nfs/dbraw/zinc/32/95/96/211329596.db2.gz MPSQCFQLNOTMJI-KRWDZBQOSA-N 0 1 347.462 4.736 50 0 EJAAMN O=C(c1ccc2c3c(cccc31)CC2)[C@@H]1CCCN(Cc2ccco2)C1 ZINC000011839954 211254568 /nfs/dbraw/zinc/25/45/68/211254568.db2.gz OZWZHDBOTWKQBD-GOSISDBHSA-N 0 1 345.442 4.626 50 0 EJAAMN CN(Cc1ncc(-c2ccc(F)cc2)o1)[C@H]1CCCc2ccccc21 ZINC000011285365 211209791 /nfs/dbraw/zinc/20/97/91/211209791.db2.gz LXXOHSBPSNWPEM-IBGZPJMESA-N 0 1 336.410 4.990 50 0 EJAAMN CCCCC1CCC(C(=O)NC[C@H](c2ccco2)N2CCCC2)CC1 ZINC000008915190 211016813 /nfs/dbraw/zinc/01/68/13/211016813.db2.gz KHBAGKKFBRJIQE-CTWPCTMYSA-N 0 1 346.515 4.529 50 0 EJAAMN Cc1ccc(CN[C@@H](C)c2ccc(Oc3cccnc3)c(F)c2)nc1 ZINC000095416689 218355671 /nfs/dbraw/zinc/35/56/71/218355671.db2.gz OPFHXODUGVALLU-HNNXBMFYSA-N 0 1 337.398 4.567 50 0 EJAAMN c1nc(C2CCC2)sc1CN[C@@H](c1ccccn1)C1CCCC1 ZINC000095415529 218354384 /nfs/dbraw/zinc/35/43/84/218354384.db2.gz BZDLCPSUGFCRBN-GOSISDBHSA-N 0 1 327.497 4.827 50 0 EJAAMN COc1cc([C@H](C)NCc2scnc2C)ccc1SC(F)F ZINC000095421966 218364157 /nfs/dbraw/zinc/36/41/57/218364157.db2.gz OHZHLQBHOIOIKC-VIFPVBQESA-N 0 1 344.452 4.626 50 0 EJAAMN CCc1ccc(-n2c(=S)[nH]nc2C23CC4CC(CC(C4)C2)C3)cc1 ZINC000005041461 210371253 /nfs/dbraw/zinc/37/12/53/210371253.db2.gz VIPZASGAGWISNI-UHFFFAOYSA-N 0 1 339.508 4.960 50 0 EJAAMN Cc1cccc(-n2c(=S)[nH]nc2C23CC4CC(CC(C4)C2)C3)c1 ZINC000004983223 210348722 /nfs/dbraw/zinc/34/87/22/210348722.db2.gz JXFMESFTPPTKDU-UHFFFAOYSA-N 0 1 325.481 4.706 50 0 EJAAMN Cc1ccc2nc([C@H](C)NC(=O)c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000001385926 258049079 /nfs/dbraw/zinc/04/90/79/258049079.db2.gz GTLKMRJULPEDBB-JTQLQIEISA-N 0 1 348.233 4.669 50 0 EJAAMN CC(C)(C)N(Cc1cnc(Br)s1)Cc1ccccc1 ZINC000241126032 564051845 /nfs/dbraw/zinc/05/18/45/564051845.db2.gz JJARGRHUMGJYOU-UHFFFAOYSA-N 0 1 339.302 4.706 50 0 EJAAMN Clc1ccc(Br)c(CNc2cccc3[nH]ncc32)c1 ZINC000090250971 564116540 /nfs/dbraw/zinc/11/65/40/564116540.db2.gz JLWBJOQFPQIMQB-UHFFFAOYSA-N 0 1 336.620 4.591 50 0 EJAAMN CCc1ccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000000239935 563265004 /nfs/dbraw/zinc/26/50/04/563265004.db2.gz SSVIQZQURYFUJX-UHFFFAOYSA-N 0 1 348.412 4.590 50 0 EJAAMN Cc1ccc2nc(SCc3ccc(Br)cc3)[nH]c2c1 ZINC000000348616 563288738 /nfs/dbraw/zinc/28/87/38/563288738.db2.gz RRZOLQBQTZWHJF-UHFFFAOYSA-N 0 1 333.254 4.926 50 0 EJAAMN O=C(c1cccc(CN2CCCCC2)c1)c1ccc(F)cc1Cl ZINC000002515026 563435878 /nfs/dbraw/zinc/43/58/78/563435878.db2.gz BTZUMFDJTXQZGN-UHFFFAOYSA-N 0 1 331.818 4.696 50 0 EJAAMN O=C(c1ccc(CN2CC=CC2)cc1)c1ccc(Cl)cc1Cl ZINC000002514918 563435885 /nfs/dbraw/zinc/43/58/85/563435885.db2.gz YPICIHATXUBENM-UHFFFAOYSA-N 0 1 332.230 4.596 50 0 EJAAMN O=C(c1cccc(CN2CCCC2)c1)c1ccc(Cl)cc1Cl ZINC000002515085 563436379 /nfs/dbraw/zinc/43/63/79/563436379.db2.gz WFLLLHAFLPJWHN-UHFFFAOYSA-N 0 1 334.246 4.820 50 0 EJAAMN O=C(c1ccc(Cl)cc1F)c1ccccc1CN1CCCCC1 ZINC000002515525 563436747 /nfs/dbraw/zinc/43/67/47/563436747.db2.gz REWJDBLAUVVKSG-UHFFFAOYSA-N 0 1 331.818 4.696 50 0 EJAAMN COc1ccc2nc(Nc3nc4ccc(Cl)cc4[nH]3)sc2c1 ZINC000034592343 563444793 /nfs/dbraw/zinc/44/47/93/563444793.db2.gz LOXKNMLEBJEOIC-UHFFFAOYSA-N 0 1 330.800 4.578 50 0 EJAAMN CC(C)(C)CC(=O)Nc1c(C2CC2)n[nH]c1-c1ccc(Cl)cc1 ZINC000034794337 563479606 /nfs/dbraw/zinc/47/96/06/563479606.db2.gz IDWFZVGLYPXQSX-UHFFFAOYSA-N 0 1 331.847 4.982 50 0 EJAAMN Cc1ccc(-c2[nH]nc(C3CC3)c2NC(=O)c2ccc(F)cc2)c(C)c1 ZINC000034794825 563479872 /nfs/dbraw/zinc/47/98/72/563479872.db2.gz GCGCNHUUOIWKGQ-UHFFFAOYSA-N 0 1 349.409 4.962 50 0 EJAAMN CCc1n[nH]c(-c2ccsc2)c1NC(=O)c1ccc(Cl)cc1 ZINC000034796528 563480592 /nfs/dbraw/zinc/48/05/92/563480592.db2.gz OXVQNJBVHDVLGP-UHFFFAOYSA-N 0 1 331.828 4.606 50 0 EJAAMN Cc1ccc2nc(SCc3nc(-c4ccccc4C)no3)[nH]c2c1 ZINC000006292091 563564413 /nfs/dbraw/zinc/56/44/13/563564413.db2.gz ZTTFTJMAQMSJPM-UHFFFAOYSA-N 0 1 336.420 4.522 50 0 EJAAMN CCN(CC)[C@H]1C(=O)Nc2ccc(Cl)cc2[C@@H]1c1ccccc1 ZINC000006783629 563586417 /nfs/dbraw/zinc/58/64/17/563586417.db2.gz VBMSIUSIEAGKMP-ZWKOTPCHSA-N 0 1 328.843 4.784 50 0 EJAAMN CC(C)(C)c1cc(Nc2ccncc2)n2ncc(-c3ccccc3)c2n1 ZINC000008657902 563634682 /nfs/dbraw/zinc/63/46/82/563634682.db2.gz MQTSFEBDZIHFFB-UHFFFAOYSA-N 0 1 343.434 4.832 50 0 EJAAMN Cc1c([C@H](C)NCc2cccc(Cl)c2)cnn1-c1ccccc1 ZINC000012710095 563668311 /nfs/dbraw/zinc/66/83/11/563668311.db2.gz BCMIAPXOEBTJCQ-AWEZNQCLSA-N 0 1 325.843 4.685 50 0 EJAAMN COc1cccc(Nc2nc(-c3ccccc3O)nc3ccccc32)c1 ZINC000013121818 563688889 /nfs/dbraw/zinc/68/88/89/563688889.db2.gz JNZDFSCGJJRAJT-UHFFFAOYSA-N 0 1 343.386 4.755 50 0 EJAAMN CC(C)c1n[nH]c(SCc2cc(-c3ccc(Cl)cc3)no2)n1 ZINC000014122619 563742849 /nfs/dbraw/zinc/74/28/49/563742849.db2.gz HHFOEMXNNUHZOB-UHFFFAOYSA-N 0 1 334.832 4.529 50 0 EJAAMN CC(C)c1nc(SCc2cc(-c3ccc(Cl)cc3)no2)n[nH]1 ZINC000014122619 563742852 /nfs/dbraw/zinc/74/28/52/563742852.db2.gz HHFOEMXNNUHZOB-UHFFFAOYSA-N 0 1 334.832 4.529 50 0 EJAAMN CC(C)c1ccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000014256058 563756399 /nfs/dbraw/zinc/75/63/99/563756399.db2.gz JKVUQGBQHDBUOP-UHFFFAOYSA-N 0 1 343.370 4.630 50 0 EJAAMN CSc1ccccc1C(=O)[C@H]1CCCN(Cc2ccc(C)s2)C1 ZINC000014980557 563769956 /nfs/dbraw/zinc/76/99/56/563769956.db2.gz GWTHKUPYTCJEFB-HNNXBMFYSA-N 0 1 345.533 4.873 50 0 EJAAMN COc1ccc([C@H]2CCCCCN2Cc2nc3ccccc3o2)cc1 ZINC000024339843 563870772 /nfs/dbraw/zinc/87/07/72/563870772.db2.gz WKIXYSVEHALTBF-LJQANCHMSA-N 0 1 336.435 4.954 50 0 EJAAMN CN(Cc1coc(-c2ccc(F)cc2)n1)[C@@H]1CCCc2ccccc21 ZINC000028966316 563904923 /nfs/dbraw/zinc/90/49/23/563904923.db2.gz VPNVXLZXHNKVBK-HXUWFJFHSA-N 0 1 336.410 4.990 50 0 EJAAMN CC(C)(NCc1cccc2c1OCO2)c1ccc(Cl)c(Cl)c1 ZINC000058111550 563937526 /nfs/dbraw/zinc/93/75/26/563937526.db2.gz ILAQUABJRAKAGY-UHFFFAOYSA-N 0 1 338.234 4.747 50 0 EJAAMN C[C@@H](NC(c1ccccc1)c1ccccc1)C(=O)Nc1ccccc1F ZINC000058160545 563938299 /nfs/dbraw/zinc/93/82/99/563938299.db2.gz RAXKHNASNHXVTP-MRXNPFEDSA-N 0 1 348.421 4.532 50 0 EJAAMN CCCOc1ccc(CN2CCC[C@H]2c2cc(C(C)C)no2)cc1 ZINC000064984491 563957454 /nfs/dbraw/zinc/95/74/54/563957454.db2.gz BCOHUCOTUQLXMZ-IBGZPJMESA-N 0 1 328.456 4.924 50 0 EJAAMN CCn1cc([C@H](C)NCc2cnc(-c3ccc(Cl)cc3)s2)cn1 ZINC000284217908 563963209 /nfs/dbraw/zinc/96/32/09/563963209.db2.gz CNXMRGRJWMCECZ-LBPRGKRZSA-N 0 1 346.887 4.531 50 0 EJAAMN Cc1cncc(CN[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)c1 ZINC000408514354 563992840 /nfs/dbraw/zinc/99/28/40/563992840.db2.gz ZKDZSGMHWPBTFS-FQEVSTJZSA-N 0 1 337.854 4.512 50 0 EJAAMN N#Cc1c(N=CCC(=O)c2ccc(Cl)cc2)sc2c1CCCC2 ZINC000033713976 563993993 /nfs/dbraw/zinc/99/39/93/563993993.db2.gz CNUYKEKWALNVCC-MDZDMXLPSA-N 0 1 342.851 4.960 50 0 EJAAMN Clc1ccc(-c2ccc(CNCc3cccnc3)o2)cc1Cl ZINC000017310119 564011617 /nfs/dbraw/zinc/01/16/17/564011617.db2.gz FSPJHMHVYCLVPF-UHFFFAOYSA-N 0 1 333.218 4.938 50 0 EJAAMN CN(Cc1ccccc1)C(=O)c1cc(-c2cccc3ccccc32)[nH]n1 ZINC000044838670 564027352 /nfs/dbraw/zinc/02/73/52/564027352.db2.gz DGKYHHOOFIYWFB-UHFFFAOYSA-N 0 1 341.414 4.502 50 0 EJAAMN Cc1ccc(-c2cc(C(=O)Nc3ccc(C)c(Cl)c3)[nH]n2)cc1 ZINC000044837806 564027359 /nfs/dbraw/zinc/02/73/59/564027359.db2.gz XBJGGANHLFAPFB-UHFFFAOYSA-N 0 1 325.799 4.599 50 0 EJAAMN c1ccc(CNCc2cc3ccccc3nc2N2CCCCC2)cc1 ZINC000048285641 564030666 /nfs/dbraw/zinc/03/06/66/564030666.db2.gz DQVRQCHEVYSMOE-UHFFFAOYSA-N 0 1 331.463 4.515 50 0 EJAAMN CCCCc1ccc([C@H](NCc2cnn(C)c2)c2cccs2)cc1 ZINC000048314522 564030856 /nfs/dbraw/zinc/03/08/56/564030856.db2.gz ZZWNAQIUBLVIJB-FQEVSTJZSA-N 0 1 339.508 4.703 50 0 EJAAMN COc1ccc2nc(SCc3cc(F)cc4cccnc43)[nH]c2c1 ZINC000031606480 564057838 /nfs/dbraw/zinc/05/78/38/564057838.db2.gz XTJANJALDRRWJP-UHFFFAOYSA-N 0 1 339.395 4.551 50 0 EJAAMN Cc1cccc([C@H]2CCCN2C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)c1 ZINC000084210699 564067404 /nfs/dbraw/zinc/06/74/04/564067404.db2.gz RALDVZPZHZDPSD-HXUWFJFHSA-N 0 1 349.409 4.502 50 0 EJAAMN Fc1cccc(Cl)c1CN1CCC(c2c[nH]c3ncccc23)CC1 ZINC000084339050 564067843 /nfs/dbraw/zinc/06/78/43/564067843.db2.gz REMJKHHGULBGJE-UHFFFAOYSA-N 0 1 343.833 4.735 50 0 EJAAMN C[C@@H](NC(=O)[C@@H](C)N(C)Cc1ccc2ccccc2c1)c1ccccc1 ZINC000012767382 564068267 /nfs/dbraw/zinc/06/82/67/564068267.db2.gz YZPQRRYNVAHOEH-QZTJIDSGSA-N 0 1 346.474 4.538 50 0 EJAAMN CCCOc1ccc(CN2CCC[C@@H]2c2cccc(F)c2)cc1OC ZINC000015837212 564076450 /nfs/dbraw/zinc/07/64/50/564076450.db2.gz JVBARIVNGWWIBS-LJQANCHMSA-N 0 1 343.442 4.960 50 0 EJAAMN CCCOc1ccc(CN2CCC[C@H]2c2cccc(F)c2)cc1OC ZINC000015837215 564076505 /nfs/dbraw/zinc/07/65/05/564076505.db2.gz JVBARIVNGWWIBS-IBGZPJMESA-N 0 1 343.442 4.960 50 0 EJAAMN CCOc1ccc(-n2c(=S)[nH]nc2Nc2ccc(Cl)cc2)cc1 ZINC000075249811 564081183 /nfs/dbraw/zinc/08/11/83/564081183.db2.gz OMINEQQWHCVRAL-UHFFFAOYSA-N 0 1 346.843 4.726 50 0 EJAAMN Cc1ccc(NC(=O)CCc2ccc3nc(C(C)C)[nH]c3c2)cc1F ZINC000075465765 564086072 /nfs/dbraw/zinc/08/60/72/564086072.db2.gz WZLPBVNYPFBQQY-UHFFFAOYSA-N 0 1 339.414 4.705 50 0 EJAAMN Cc1ccc(NC(=O)CCc2ccc3nc(C(C)C)[nH]c3c2)c(C)c1 ZINC000075478738 564086640 /nfs/dbraw/zinc/08/66/40/564086640.db2.gz CZYGMJBDHKOTDC-UHFFFAOYSA-N 0 1 335.451 4.874 50 0 EJAAMN C[C@@H](N[C@H](CO)c1ccc(Cl)c(F)c1)c1ccc(Cl)cc1 ZINC000092769335 564089104 /nfs/dbraw/zinc/08/91/04/564089104.db2.gz IAUZZTXZEUXUMU-QLJPJBMISA-N 0 1 328.214 4.517 50 0 EJAAMN CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)N(C)Cc1ccccc1C ZINC000006841314 564099370 /nfs/dbraw/zinc/09/93/70/564099370.db2.gz FEQFRLZEPJCXTE-SJLPKXTDSA-N 0 1 338.495 4.968 50 0 EJAAMN Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)N2CCCCCC2)c1 ZINC000007377992 564107132 /nfs/dbraw/zinc/10/71/32/564107132.db2.gz GYGIQUSJQTVWIS-NRFANRHFSA-N 0 1 336.479 4.859 50 0 EJAAMN Fc1ccc(-c2cc(-c3nc(-c4ccc(Cl)cc4)no3)[nH]n2)cc1 ZINC000007424958 564108376 /nfs/dbraw/zinc/10/83/76/564108376.db2.gz IYPXLSGLPKYOGZ-UHFFFAOYSA-N 0 1 340.745 4.586 50 0 EJAAMN C[C@@H]1C[C@H](c2cccnc2)N(Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000170606859 564109602 /nfs/dbraw/zinc/10/96/02/564109602.db2.gz RDXJWDYYYVGSKU-OPAMFIHVSA-N 0 1 347.437 4.866 50 0 EJAAMN C[C@H](N[C@@H](C)c1ccc(Cl)cc1)C(=O)c1c[nH]c2ccccc12 ZINC000007538556 564109944 /nfs/dbraw/zinc/10/99/44/564109944.db2.gz QUXMBCQIXLQECP-STQMWFEESA-N 0 1 326.827 4.743 50 0 EJAAMN CCc1cc(-c2[nH]nc(C(F)(F)F)c2-c2ccccc2)c(O)cc1O ZINC000000458764 564118923 /nfs/dbraw/zinc/11/89/23/564118923.db2.gz UMWWRGOCFBZBMK-UHFFFAOYSA-N 0 1 348.324 4.736 50 0 EJAAMN CC(=O)Nc1ccccc1CN(C)[C@@H](C)c1sc(C(C)C)nc1C ZINC000093821648 564138001 /nfs/dbraw/zinc/13/80/01/564138001.db2.gz POSHHECVKPFIQJ-AWEZNQCLSA-N 0 1 345.512 4.726 50 0 EJAAMN CC[C@H](N[C@H](C)c1cnccn1)c1ccc(OC2CCCC2)cc1 ZINC000095967881 564143053 /nfs/dbraw/zinc/14/30/53/564143053.db2.gz JZVARWKCSFVUCT-BEFAXECRSA-N 0 1 325.456 4.600 50 0 EJAAMN Cc1cnc(Nc2nc3ccc(OC(F)(F)F)cc3s2)s1 ZINC000096231976 564146112 /nfs/dbraw/zinc/14/61/12/564146112.db2.gz LEDHQEQHCRJVER-UHFFFAOYSA-N 0 1 331.344 4.703 50 0 EJAAMN Cc1cc(Cl)ccc1NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000057412133 564154035 /nfs/dbraw/zinc/15/40/35/564154035.db2.gz WPCVEQQAISTHKU-UHFFFAOYSA-N 0 1 346.217 4.944 50 0 EJAAMN Cc1ccc(-c2cc(C(=O)Nc3c(C)cccc3Cl)[nH]n2)cc1 ZINC000057477056 564154425 /nfs/dbraw/zinc/15/44/25/564154425.db2.gz JQAFYPSJQFZCCD-UHFFFAOYSA-N 0 1 325.799 4.599 50 0 EJAAMN Cc1cc2oc(=O)cc(CN[C@H](C)c3ccc(Cl)cc3)c2cc1C ZINC000057553985 564154928 /nfs/dbraw/zinc/15/49/28/564154928.db2.gz ZHZQEWZNRYAAFW-CQSZACIVSA-N 0 1 341.838 4.914 50 0 EJAAMN Clc1ccc(N2CCN(Cc3csc4c3CCCC4)CC2)cc1 ZINC000057992711 564157062 /nfs/dbraw/zinc/15/70/62/564157062.db2.gz ZNLURPLZCBBUJA-UHFFFAOYSA-N 0 1 346.927 4.603 50 0 EJAAMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1cc(-c2ccccc2)cs1 ZINC000263508323 564162482 /nfs/dbraw/zinc/16/24/82/564162482.db2.gz MQUGAWWECAKHFH-LZQZEXGQSA-N 0 1 341.476 4.633 50 0 EJAAMN Cc1[nH]c2c(C)c(Cl)ccc2c(=O)c1CN(C)Cc1ccccc1 ZINC000008717151 564166719 /nfs/dbraw/zinc/16/67/19/564166719.db2.gz JDAJGBCUPYUTTE-UHFFFAOYSA-N 0 1 340.854 4.843 50 0 EJAAMN C[C@H]1C[C@@H]1c1ccc(CN(C(=O)c2ccc(O)c(Cl)c2)C2CC2)o1 ZINC000071811819 564175627 /nfs/dbraw/zinc/17/56/27/564175627.db2.gz USWPIBHHGRRSJT-NHYWBVRUSA-N 0 1 345.826 4.567 50 0 EJAAMN COCCN(Cc1ccc([C@H]2CCCO2)s1)Cc1ccc(C)cc1 ZINC000055166509 214281265 /nfs/dbraw/zinc/28/12/65/214281265.db2.gz IWJMUOXEGGSOQO-LJQANCHMSA-N 0 1 345.508 4.557 50 0 EJAAMN COc1ccc2nc(SCC(=O)c3cccc4ccccc43)[nH]c2c1 ZINC000004613379 210231796 /nfs/dbraw/zinc/23/17/96/210231796.db2.gz DZTCEKYWHSTMRK-UHFFFAOYSA-N 0 1 348.427 4.700 50 0 EJAAMN Cc1ccc(C)c(NC(=O)CSc2nc3ccc(Cl)cc3[nH]2)c1 ZINC000004485029 210200363 /nfs/dbraw/zinc/20/03/63/210200363.db2.gz RXZCWNUUPVLGBL-UHFFFAOYSA-N 0 1 345.855 4.564 50 0 EJAAMN O=C(c1ccc(Cl)cc1Cl)c1ccccc1CN1CCCC1 ZINC000002515581 209861634 /nfs/dbraw/zinc/86/16/34/209861634.db2.gz AVFDQAJRTXJNOJ-UHFFFAOYSA-N 0 1 334.246 4.820 50 0 EJAAMN C[C@H](NC(=O)c1ccc(O)c(Cl)c1)c1cccc(C(F)(F)F)c1 ZINC000040160045 213277474 /nfs/dbraw/zinc/27/74/74/213277474.db2.gz NSSSCEKFRHTZKV-VIFPVBQESA-N 0 1 343.732 4.555 50 0 EJAAMN COc1ccc([C@@H](C)N[C@H](C)c2ccc(C)o2)cc1Br ZINC000037105976 213133548 /nfs/dbraw/zinc/13/35/48/213133548.db2.gz DHYHUZYNEYWXPK-VXGBXAGGSA-N 0 1 338.245 4.771 50 0 EJAAMN Clc1ccc2nc(SCc3noc(-c4cccs4)n3)[nH]c2c1 ZINC000032837595 202237865 /nfs/dbraw/zinc/23/78/65/202237865.db2.gz QQAAUWAXLOFRSV-UHFFFAOYSA-N 0 1 348.840 4.620 50 0 EJAAMN Cc1ccc2nc(-c3cccc(NC(=O)c4ccccc4F)c3)[nH]c2c1 ZINC000033328625 202258700 /nfs/dbraw/zinc/25/87/00/202258700.db2.gz ZRVCUJBSLRWBFT-UHFFFAOYSA-N 0 1 345.377 4.930 50 0 EJAAMN O=C(Nc1ccccc1Cl)c1cc(-c2cccc(Cl)c2)n[nH]1 ZINC000024960928 212448951 /nfs/dbraw/zinc/44/89/51/212448951.db2.gz JILFURHQHDYJII-UHFFFAOYSA-N 0 1 332.190 4.636 50 0 EJAAMN CN(Cc1ccc([C@H]2CCCCO2)o1)Cc1cccc2cnccc21 ZINC000215530435 241130955 /nfs/dbraw/zinc/13/09/55/241130955.db2.gz SPHCLFYQFHUQPG-HXUWFJFHSA-N 0 1 336.435 4.701 50 0 EJAAMN CCCCOc1ccc(CN2CCC[C@@H]2c2c(C)noc2C)cc1 ZINC000021720313 212244591 /nfs/dbraw/zinc/24/45/91/212244591.db2.gz OYCAJFUOQZHAEY-LJQANCHMSA-N 0 1 328.456 4.807 50 0 EJAAMN CCc1ccc(NC(=O)c2cn[nH]c2-c2ccc(Cl)cc2)cc1 ZINC000020995729 212196618 /nfs/dbraw/zinc/19/66/18/212196618.db2.gz BHSJBPQPPCCMAM-UHFFFAOYSA-N 0 1 325.799 4.545 50 0 EJAAMN CCc1cccc(NC(=O)CCc2ccc3nc(C(C)C)[nH]c3c2)c1 ZINC000075465762 203315096 /nfs/dbraw/zinc/31/50/96/203315096.db2.gz ICRPQMKWXABQHO-UHFFFAOYSA-N 0 1 335.451 4.820 50 0 EJAAMN c1cn2c(CN3CCc4ccccc4C3)c(-c3ccccc3)nc2s1 ZINC000012485707 211392895 /nfs/dbraw/zinc/39/28/95/211392895.db2.gz ITUPFJYWYINUDQ-UHFFFAOYSA-N 0 1 345.471 4.621 50 0 EJAAMN O=C(c1ccc2c3c(cccc31)CC2)[C@H]1CCCN(Cc2ccoc2)C1 ZINC000012439395 211381210 /nfs/dbraw/zinc/38/12/10/211381210.db2.gz MHTKVKXIRZZGTA-IBGZPJMESA-N 0 1 345.442 4.626 50 0 EJAAMN CCCCN[C@@H]1c2ccccc2C(=O)N1[C@H](C)CCc1ccccc1 ZINC000009659354 211111913 /nfs/dbraw/zinc/11/19/13/211111913.db2.gz BAEHIFDGFKNAKZ-UTKZUKDTSA-N 0 1 336.479 4.552 50 0 EJAAMN Clc1ccc2nc(SCc3nc(-c4cccs4)no3)[nH]c2c1 ZINC000009262673 211059216 /nfs/dbraw/zinc/05/92/16/211059216.db2.gz IXYVDFXKGPCGSM-UHFFFAOYSA-N 0 1 348.840 4.620 50 0 EJAAMN COc1cccc2cc([C@@H](C)N[C@H](C)c3cnn(C(C)C)c3)oc21 ZINC000095419645 218359900 /nfs/dbraw/zinc/35/99/00/218359900.db2.gz UZSGHLDVSSPDNI-ZIAGYGMSSA-N 0 1 327.428 4.631 50 0 EJAAMN C[C@H](N[C@@H](c1cc(F)ccc1F)C1CC1)c1ccc([S@](C)=O)cc1 ZINC000095423498 218365885 /nfs/dbraw/zinc/36/58/85/218365885.db2.gz GNTTXLPMWGIIQE-WSONZKGWSA-N 0 1 349.446 4.504 50 0 EJAAMN CCCCn1c(=O)c2c(-c3ccc(F)cc3)csc2[nH]c1=S ZINC000005869505 210551409 /nfs/dbraw/zinc/55/14/09/210551409.db2.gz GVLWOAFVSNPODJ-UHFFFAOYSA-N 0 1 334.441 4.727 50 0 EJAAMN Clc1ccccc1COc1cccc(CNCc2ccco2)c1 ZINC000004842994 210296083 /nfs/dbraw/zinc/29/60/83/210296083.db2.gz WIRASXJIUCCKIN-UHFFFAOYSA-N 0 1 327.811 4.802 50 0 EJAAMN CCOc1ccccc1-c1n[nH]c(SCc2ccc(Cl)cc2)n1 ZINC000004821048 521438905 /nfs/dbraw/zinc/43/89/05/521438905.db2.gz TYUIVUPZRCPNEM-UHFFFAOYSA-N 0 1 345.855 4.816 50 0 EJAAMN COc1ccc(C(C)C)cc1S(=O)(=O)Nc1c(C)cc(C)cc1C ZINC000000618893 563360636 /nfs/dbraw/zinc/36/06/36/563360636.db2.gz ABMMVTDFCZOPKL-UHFFFAOYSA-N 0 1 347.480 4.545 50 0 EJAAMN O=C(c1cccc(CN2CCCCC2)c1)c1cccc(C(F)(F)F)c1 ZINC000002515023 563435957 /nfs/dbraw/zinc/43/59/57/563435957.db2.gz AHKXKHXZHVVBTD-UHFFFAOYSA-N 0 1 347.380 4.922 50 0 EJAAMN O=C(c1ccccc1CN1CCCCC1)c1ccccc1C(F)(F)F ZINC000002515519 563436635 /nfs/dbraw/zinc/43/66/35/563436635.db2.gz IIAJCRVUDSFDJG-UHFFFAOYSA-N 0 1 347.380 4.922 50 0 EJAAMN O=C(c1ccc(F)cc1Cl)c1ccccc1CN1CCCCC1 ZINC000002515523 563436643 /nfs/dbraw/zinc/43/66/43/563436643.db2.gz GMUXAHGCQFFDFP-UHFFFAOYSA-N 0 1 331.818 4.696 50 0 EJAAMN Clc1ccc(SCCOCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000002845357 563454985 /nfs/dbraw/zinc/45/49/85/563454985.db2.gz RNXXMVAWNIQIAY-UHFFFAOYSA-N 0 1 347.911 4.507 50 0 EJAAMN Clc1ccc(SCCOCCN2CCc3ccccc3C2)cc1 ZINC000002845357 563454989 /nfs/dbraw/zinc/45/49/89/563454989.db2.gz RNXXMVAWNIQIAY-UHFFFAOYSA-N 0 1 347.911 4.507 50 0 EJAAMN Cc1c(-c2ccc(Cl)cc2)nc2ccccc2c1N1CCOCC1 ZINC000005678096 563545192 /nfs/dbraw/zinc/54/51/92/563545192.db2.gz MCAIAKIVDVYMBX-UHFFFAOYSA-N 0 1 338.838 4.700 50 0 EJAAMN Clc1cc(CNCc2cccnc2)ccc1OCc1ccccc1 ZINC000010315527 563646958 /nfs/dbraw/zinc/64/69/58/563646958.db2.gz LYYRYZOUDFVQCJ-UHFFFAOYSA-N 0 1 338.838 4.604 50 0 EJAAMN Cn1cc(CN2CC=C(c3ccccc3)CC2)c(-c2ccccc2F)n1 ZINC000012704669 563667882 /nfs/dbraw/zinc/66/78/82/563667882.db2.gz NHEXBJLFVKLLPR-UHFFFAOYSA-N 0 1 347.437 4.516 50 0 EJAAMN COc1ccccc1Nc1nc(-c2ccccc2O)nc2ccccc21 ZINC000013124863 563689222 /nfs/dbraw/zinc/68/92/22/563689222.db2.gz XXDWHCBZRZWMFZ-UHFFFAOYSA-N 0 1 343.386 4.755 50 0 EJAAMN CC(=O)c1c(C)[nH]c(C(=O)CN[C@H](C)c2ccc3ccccc3c2)c1C ZINC000014124181 563743096 /nfs/dbraw/zinc/74/30/96/563743096.db2.gz SCIIABVPOSOHJU-CQSZACIVSA-N 0 1 348.446 4.521 50 0 EJAAMN Fc1ccc(COc2ccccc2CNCc2cccs2)cc1 ZINC000016449786 563811629 /nfs/dbraw/zinc/81/16/29/563811629.db2.gz RGFSQRSRKVZHRA-UHFFFAOYSA-N 0 1 327.424 4.756 50 0 EJAAMN COc1ccc(Nc2nc(-c3ccccc3O)nc3ccccc32)cc1 ZINC000018085409 563848230 /nfs/dbraw/zinc/84/82/30/563848230.db2.gz ASTLZMIIVJHCMV-UHFFFAOYSA-N 0 1 343.386 4.755 50 0 EJAAMN CCCCC(=O)Nc1ccc(CCc2nc3ccc(C)cc3[nH]2)cc1 ZINC000032960988 563916781 /nfs/dbraw/zinc/91/67/81/563916781.db2.gz YZBMHNNIMKDNCX-UHFFFAOYSA-N 0 1 335.451 4.785 50 0 EJAAMN CCc1cccc2c(C(=O)CN3CCC[C@@H]3c3cccs3)c[nH]c21 ZINC000058160800 563938330 /nfs/dbraw/zinc/93/83/30/563938330.db2.gz KVPVOQIYZTYSHG-QGZVFWFLSA-N 0 1 338.476 4.812 50 0 EJAAMN Cc1nc2ccccc2nc1CN(C)Cc1cccc(C(F)(F)F)c1 ZINC000058377882 563944248 /nfs/dbraw/zinc/94/42/48/563944248.db2.gz XOHKRKZPHITJHX-UHFFFAOYSA-N 0 1 345.368 4.589 50 0 EJAAMN Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)N[C@H](C)c1cnn(C)c1 ZINC000096477352 563955030 /nfs/dbraw/zinc/95/50/30/563955030.db2.gz MDLAOYIMGBHMSF-KGLIPLIRSA-N 0 1 340.496 4.572 50 0 EJAAMN Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)N[C@@H](C)c1cnn(C)c1 ZINC000096477346 563955086 /nfs/dbraw/zinc/95/50/86/563955086.db2.gz MDLAOYIMGBHMSF-KBPBESRZSA-N 0 1 340.496 4.572 50 0 EJAAMN Clc1cccc(-c2ccc(CNCc3cccnc3)o2)c1Cl ZINC000017310142 564011615 /nfs/dbraw/zinc/01/16/15/564011615.db2.gz LETPDHCBOUDDOJ-UHFFFAOYSA-N 0 1 333.218 4.938 50 0 EJAAMN Cc1ccccc1S(=O)(=O)Nc1ccccc1Oc1ccccc1 ZINC000000383763 564012418 /nfs/dbraw/zinc/01/24/18/564012418.db2.gz QICZNQYPTLUDKU-UHFFFAOYSA-N 0 1 339.416 4.588 50 0 EJAAMN CCc1cc(CN2CCCCC2)c(NC(=O)c2ccccc2)s1 ZINC000005677853 564018132 /nfs/dbraw/zinc/01/81/32/564018132.db2.gz IQCPNCDUMCFCHJ-UHFFFAOYSA-N 0 1 328.481 4.549 50 0 EJAAMN Oc1ccccc1-c1nc2ccccc2c(Oc2ccccc2F)n1 ZINC000000540978 564022476 /nfs/dbraw/zinc/02/24/76/564022476.db2.gz FQZOPDIMOBAZHU-UHFFFAOYSA-N 0 1 332.334 4.934 50 0 EJAAMN CCOc1ccc(-c2cc(C(=O)Nc3cccc(C(C)C)c3)[nH]n2)cc1 ZINC000051315401 564024264 /nfs/dbraw/zinc/02/42/64/564024264.db2.gz MSJMMSDPALKJAQ-UHFFFAOYSA-N 0 1 349.434 4.851 50 0 EJAAMN Cc1ccccc1-c1noc(-c2cc(-c3ccc(Cl)cc3)n[nH]2)n1 ZINC000046913945 564025512 /nfs/dbraw/zinc/02/55/12/564025512.db2.gz ZUUPUAMTAHGXFQ-UHFFFAOYSA-N 0 1 336.782 4.756 50 0 EJAAMN O=C(Nc1ccccc1F)c1cc(-c2cccc3ccccc32)n[nH]1 ZINC000044838107 564027321 /nfs/dbraw/zinc/02/73/21/564027321.db2.gz JHTCRVLFJLTQHD-UHFFFAOYSA-N 0 1 331.350 4.621 50 0 EJAAMN Fc1ccc(C[C@@H]2CCCN2Cc2coc(-c3cccs3)n2)cc1 ZINC000048309186 564030768 /nfs/dbraw/zinc/03/07/68/564030768.db2.gz ODFVIDSXLFGYLT-KRWDZBQOSA-N 0 1 342.439 4.749 50 0 EJAAMN Fc1cccc(Cl)c1CSc1nc(-c2cccs2)n[nH]1 ZINC000008343548 564035417 /nfs/dbraw/zinc/03/54/17/564035417.db2.gz ZQVNAFWUVYNGNF-UHFFFAOYSA-N 0 1 325.821 4.618 50 0 EJAAMN Cc1ccc2nc(SCC(=O)Nc3c(C)cc(C)cc3C)[nH]c2c1 ZINC000006017029 564057615 /nfs/dbraw/zinc/05/76/15/564057615.db2.gz JMQOWCSBQNVORC-UHFFFAOYSA-N 0 1 339.464 4.527 50 0 EJAAMN Cc1ccc2nc([C@@H](C)NC(=O)c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000001385925 564064218 /nfs/dbraw/zinc/06/42/18/564064218.db2.gz GTLKMRJULPEDBB-SNVBAGLBSA-N 0 1 348.233 4.669 50 0 EJAAMN CC(C)c1nc2ccc(CCC(=O)Nc3cc(F)ccc3F)cc2[nH]1 ZINC000075478749 564086578 /nfs/dbraw/zinc/08/65/78/564086578.db2.gz JBHDCOQJXCFEOB-UHFFFAOYSA-N 0 1 343.377 4.536 50 0 EJAAMN C[C@@H](C(=O)Nc1cccc(Cl)c1)N1CCC[C@H]1c1cccs1 ZINC000242284617 564088495 /nfs/dbraw/zinc/08/84/95/564088495.db2.gz YIDXPZFRIWKIBD-WFASDCNBSA-N 0 1 334.872 4.566 50 0 EJAAMN COc1ccc2nc(SCc3cccc(Br)c3)[nH]c2c1 ZINC000006609348 564093270 /nfs/dbraw/zinc/09/32/70/564093270.db2.gz HXDIPFABKOJCOG-UHFFFAOYSA-N 0 1 349.253 4.626 50 0 EJAAMN c1csc(-c2cc(CSc3nc(-c4cccs4)n[nH]3)no2)c1 ZINC000007725891 564122335 /nfs/dbraw/zinc/12/23/35/564122335.db2.gz URMMOWHAOVRTET-UHFFFAOYSA-N 0 1 346.462 4.542 50 0 EJAAMN CN(c1nc(-c2ccccc2O)nc2ccccc21)C1CCCCC1 ZINC000002394928 564134478 /nfs/dbraw/zinc/13/44/78/564134478.db2.gz DULCULVGDZWBJI-UHFFFAOYSA-N 0 1 333.435 4.771 50 0 EJAAMN CSc1cccc(NC(=O)c2cc(-c3ccccc3Cl)n[nH]2)c1 ZINC000057412234 564154065 /nfs/dbraw/zinc/15/40/65/564154065.db2.gz NOMNJUGAZYSLFC-UHFFFAOYSA-N 0 1 343.839 4.704 50 0 EJAAMN Cc1c(Cl)cccc1NC(=O)c1cc(-c2cccc(Cl)c2)n[nH]1 ZINC000057412654 564154101 /nfs/dbraw/zinc/15/41/01/564154101.db2.gz FYNTUVVVWIGQFL-UHFFFAOYSA-N 0 1 346.217 4.944 50 0 EJAAMN Cc1cc(C)cc(NC(=O)c2cc(-c3cccc(Cl)c3)n[nH]2)c1 ZINC000057412459 564154107 /nfs/dbraw/zinc/15/41/07/564154107.db2.gz OORMRVRKNMXBDE-UHFFFAOYSA-N 0 1 325.799 4.599 50 0 EJAAMN Cc1cccc(Cl)c1NC(=O)c1cc(-c2cccc(Cl)c2)n[nH]1 ZINC000057412662 564154119 /nfs/dbraw/zinc/15/41/19/564154119.db2.gz RTOBZTKUKSSYCM-UHFFFAOYSA-N 0 1 346.217 4.944 50 0 EJAAMN Cc1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)n[nH]2)c(C)c1 ZINC000057412483 564154143 /nfs/dbraw/zinc/15/41/43/564154143.db2.gz XNURWWOHHWBOPY-UHFFFAOYSA-N 0 1 325.799 4.599 50 0 EJAAMN CCc1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)n[nH]2)cc1 ZINC000057412467 564154153 /nfs/dbraw/zinc/15/41/53/564154153.db2.gz RCGCFZVFYIHNCG-UHFFFAOYSA-N 0 1 325.799 4.545 50 0 EJAAMN Cc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3C)[nH]n2)cc1 ZINC000057477055 564154421 /nfs/dbraw/zinc/15/44/21/564154421.db2.gz IXFZRZWQILKCMZ-UHFFFAOYSA-N 0 1 325.799 4.599 50 0 EJAAMN CCc1c(C)scc1CN1CCN(c2cc(Cl)ccc2C)CC1 ZINC000057992736 564157060 /nfs/dbraw/zinc/15/70/60/564157060.db2.gz DVAUSPZHOMLHMT-UHFFFAOYSA-N 0 1 348.943 4.903 50 0 EJAAMN Fc1ccc(SCCSc2nc(-c3ccccc3F)n[nH]2)cc1 ZINC000008390597 564164919 /nfs/dbraw/zinc/16/49/19/564164919.db2.gz KOARLNGAUMTQAN-UHFFFAOYSA-N 0 1 349.431 4.634 50 0 EJAAMN Cc1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)n[nH]2)c(Cl)c1 ZINC000057412673 214426686 /nfs/dbraw/zinc/42/66/86/214426686.db2.gz KSJYDMIXOYKMBI-UHFFFAOYSA-N 0 1 346.217 4.944 50 0 EJAAMN Cc1[nH]n(-c2ccc3ccccc3c2)c(=O)c1Cc1cccc(F)c1 ZINC000101016159 219113419 /nfs/dbraw/zinc/11/34/19/219113419.db2.gz KHWAZBWTDZDGMU-UHFFFAOYSA-N 0 1 332.378 4.769 50 0 EJAAMN COc1ccc2nc(SCc3ncc(-c4ccccc4)o3)[nH]c2c1 ZINC000004273880 210157747 /nfs/dbraw/zinc/15/77/47/210157747.db2.gz ASZUBJJCLGIKPG-UHFFFAOYSA-N 0 1 337.404 4.519 50 0 EJAAMN COc1cccc2sc(Nc3nc4c(s3)C[C@@H](C)CC4)nc21 ZINC000004121609 210126477 /nfs/dbraw/zinc/12/64/77/210126477.db2.gz BWWANEKEBKYIPD-VIFPVBQESA-N 0 1 331.466 4.630 50 0 EJAAMN CCOc1ccc(-c2noc(-c3cc(-c4ccccc4C)n[nH]3)n2)cc1 ZINC000046914429 213817354 /nfs/dbraw/zinc/81/73/54/213817354.db2.gz HLJLFGOSJAAYBL-UHFFFAOYSA-N 0 1 346.390 4.501 50 0 EJAAMN COc1cccc2sc(Nc3nc4c(cccc4OC)s3)nc21 ZINC000004121602 210126054 /nfs/dbraw/zinc/12/60/54/210126054.db2.gz VECNFWHOVUBSAC-UHFFFAOYSA-N 0 1 343.433 4.667 50 0 EJAAMN Cc1cccc(-c2noc(-c3cc(-c4cccc(Cl)c4)n[nH]3)n2)c1 ZINC000046913979 213815971 /nfs/dbraw/zinc/81/59/71/213815971.db2.gz DBCWSXFXBOVGMV-UHFFFAOYSA-N 0 1 336.782 4.756 50 0 EJAAMN O=C(CCC1CCCCC1)Nc1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000019625084 202015816 /nfs/dbraw/zinc/01/58/16/202015816.db2.gz SKBIMQHWDYAWPV-UHFFFAOYSA-N 0 1 339.361 4.881 50 0 EJAAMN C[C@@H](c1nc2ccccc2n1Cc1ccccc1Cl)N1CCCC1 ZINC000039916904 213244105 /nfs/dbraw/zinc/24/41/05/213244105.db2.gz AGOGKTHUGYMEGG-HNNXBMFYSA-N 0 1 339.870 4.895 50 0 EJAAMN Cc1cccc([C@H]2NCc3c4c(sc3-n3cccc32)CCCC4)c1 ZINC000020864909 202055854 /nfs/dbraw/zinc/05/58/54/202055854.db2.gz YZRCLSJHMHDABG-HXUWFJFHSA-N 0 1 334.488 4.919 50 0 EJAAMN CCCOc1ccc(CN2CCC[C@H]2c2c(C)noc2CC)cc1 ZINC000021720890 202069474 /nfs/dbraw/zinc/06/94/74/202069474.db2.gz DTDKEZZHZPPYOO-SFHVURJKSA-N 0 1 328.456 4.671 50 0 EJAAMN CN(CC(=O)Nc1cc(Cl)ccc1Cl)[C@@H]1CCc2ccccc21 ZINC000029482632 202188175 /nfs/dbraw/zinc/18/81/75/202188175.db2.gz ZJDXLGCYHNUWIR-QGZVFWFLSA-N 0 1 349.261 4.551 50 0 EJAAMN Cc1cc([C@@H]2CCCN2Cc2cccc(OCc3ccccc3)c2)on1 ZINC000035511231 202305586 /nfs/dbraw/zinc/30/55/86/202305586.db2.gz HHHNBYOEYGWGLP-NRFANRHFSA-N 0 1 348.446 4.899 50 0 EJAAMN O=C1C(=Nc2ccccc2)C[C@H](c2ccccc2)N1c1ccccc1 ZINC000000134170 209441584 /nfs/dbraw/zinc/44/15/84/209441584.db2.gz QIBLHYFLABKMHD-OAQYLSRUSA-N 0 1 326.399 4.771 50 0 EJAAMN COc1cccc(CN[C@H](C)c2ccc(Cl)c(Cl)c2)c1OC ZINC000072670765 216289818 /nfs/dbraw/zinc/28/98/18/216289818.db2.gz SQKMQQFXRAJFEA-LLVKDONJSA-N 0 1 340.250 4.861 50 0 EJAAMN CC(C)c1cccc(C(C)C)c1OCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000022385596 212294683 /nfs/dbraw/zinc/29/46/83/212294683.db2.gz BQORZYXEEBAHHD-QZTJIDSGSA-N 0 1 333.516 4.812 50 0 EJAAMN c1cc2c(s1)CCN(Cc1c(-c3ccccc3)nc3ccccn31)C2 ZINC000022277681 212287478 /nfs/dbraw/zinc/28/74/78/212287478.db2.gz YUFKLALEWYWZQC-UHFFFAOYSA-N 0 1 345.471 4.621 50 0 EJAAMN CC(=O)Nc1ccc(C[N@H+]2CCCCC[C@@H]2c2cccc(F)c2)cc1 ZINC000216449873 241192875 /nfs/dbraw/zinc/19/28/75/241192875.db2.gz ROZZFMXOZYNKGM-OAQYLSRUSA-N 0 1 340.442 4.901 50 0 EJAAMN CCC(=O)CCCN1CCC(C(=O)c2ccc(CC(C)C)cc2)CC1 ZINC000242302084 243015482 /nfs/dbraw/zinc/01/54/82/243015482.db2.gz YPJBFAOZIKCLIF-UHFFFAOYSA-N 0 1 343.511 4.539 50 0 EJAAMN C[C@H](N[C@H](c1cc(F)ccc1F)C1CC1)c1ccc([S@](C)=O)cc1 ZINC000110688592 220056919 /nfs/dbraw/zinc/05/69/19/220056919.db2.gz GNTTXLPMWGIIQE-OCPCCLDUSA-N 0 1 349.446 4.504 50 0 EJAAMN CC(=O)c1cccc(CN2CCC[C@@H](Nc3ccc(C)c(C)c3)C2)c1 ZINC000012307991 211341022 /nfs/dbraw/zinc/34/10/22/211341022.db2.gz ZERXAFGEKLQTFD-JOCHJYFZSA-N 0 1 336.479 4.583 50 0 EJAAMN CC(C)C(=O)N1CCC[C@H](c2[nH]ncc2-c2cccc3ccccc32)C1 ZINC000012246252 211329407 /nfs/dbraw/zinc/32/94/07/211329407.db2.gz MCILGKIXFGOKMZ-KRWDZBQOSA-N 0 1 347.462 4.592 50 0 EJAAMN OC[C@@]1(CCc2ccccc2)CCCN(Cc2ccc(Cl)s2)C1 ZINC000011720116 211239730 /nfs/dbraw/zinc/23/97/30/211239730.db2.gz XZEUQGPHDOVSQY-LJQANCHMSA-N 0 1 349.927 4.609 50 0 EJAAMN Oc1ccc(Cl)cc1-c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000008972896 211024592 /nfs/dbraw/zinc/02/45/92/211024592.db2.gz SCWVEXBFZVZYSH-UHFFFAOYSA-N 0 1 349.615 4.865 50 0 EJAAMN Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)N[C@H](C)c1cnn(C)c1 ZINC000096477350 218854022 /nfs/dbraw/zinc/85/40/22/218854022.db2.gz MDLAOYIMGBHMSF-ZIAGYGMSSA-N 0 1 340.496 4.572 50 0 EJAAMN Brc1c(OCCN2CCCCCC2)ccc2ccccc21 ZINC000004978511 210346994 /nfs/dbraw/zinc/34/69/94/210346994.db2.gz HJAPQGKYFSBSHZ-UHFFFAOYSA-N 0 1 348.284 4.857 50 0 EJAAMN Fc1ccccc1N1CCN(Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000055543895 132196063 /nfs/dbraw/zinc/19/60/63/132196063.db2.gz KSUGIETURQBMTK-UHFFFAOYSA-N 0 1 346.449 4.815 50 0 EJAAMN C[C@H](N[C@H](C[C@@H]1CCOC1)c1ccccc1)c1nc2ccccc2o1 ZINC000192746215 525596170 /nfs/dbraw/zinc/59/61/70/525596170.db2.gz HVDCYEUGZSLQNM-TXPKVOOTSA-N 0 1 336.435 4.646 50 0 EJAAMN Cc1ccc(-c2cc(-c3cccc(Br)c3)[nH]n2)c(O)c1 ZINC000000265255 563268748 /nfs/dbraw/zinc/26/87/48/563268748.db2.gz KHNMWEACJGZVLT-UHFFFAOYSA-N 0 1 329.197 4.520 50 0 EJAAMN O=c1oc2cc(O)ccc2c(Cc2ccccc2)c1-c1ccccc1 ZINC000001081532 563374246 /nfs/dbraw/zinc/37/42/46/563374246.db2.gz UDGDPGYTQSJHSS-UHFFFAOYSA-N 0 1 328.367 4.756 50 0 biogenic,in-vitro EJAAMN CCCCc1ccc(-n2c(Cc3cccs3)n[nH]c2=S)cc1 ZINC000002366835 563430516 /nfs/dbraw/zinc/43/05/16/563430516.db2.gz HWJISTMCCXOCBO-UHFFFAOYSA-N 0 1 329.494 4.925 50 0 EJAAMN O=C(c1ccc(CN2CC=CC2)cc1)c1cccc(Cl)c1Cl ZINC000002514917 563435645 /nfs/dbraw/zinc/43/56/45/563435645.db2.gz JHCPRQSMPISZFW-UHFFFAOYSA-N 0 1 332.230 4.596 50 0 EJAAMN O=C(c1cccc(CN2CCCCC2)c1)c1ccccc1C(F)(F)F ZINC000002515022 563435916 /nfs/dbraw/zinc/43/59/16/563435916.db2.gz ROOUZWKSHJZISN-UHFFFAOYSA-N 0 1 347.380 4.922 50 0 EJAAMN O=C(c1ccc(C(F)(F)F)cc1)c1ccccc1CN1CCCCC1 ZINC000002515521 563436629 /nfs/dbraw/zinc/43/66/29/563436629.db2.gz AQMRCFJQMKARNI-UHFFFAOYSA-N 0 1 347.380 4.922 50 0 EJAAMN Cc1c(Cl)cccc1NCc1n[nH]c(=S)n1-c1ccccc1 ZINC000002544695 563440276 /nfs/dbraw/zinc/44/02/76/563440276.db2.gz NTAMWTGWQVIDPR-UHFFFAOYSA-N 0 1 330.844 4.504 50 0 EJAAMN O=C(Nc1c(C2CC2)n[nH]c1-c1ccc(Cl)cc1)c1ccccc1 ZINC000034794323 563479597 /nfs/dbraw/zinc/47/95/97/563479597.db2.gz IDVNKXWUNYOGAP-UHFFFAOYSA-N 0 1 337.810 4.860 50 0 EJAAMN CCc1n[nH]c(-c2cccc(Cl)c2)c1NC(=O)c1ccccc1F ZINC000034794670 563479638 /nfs/dbraw/zinc/47/96/38/563479638.db2.gz GDAYDDHDLAFOGS-UHFFFAOYSA-N 0 1 343.789 4.684 50 0 EJAAMN CCOc1ccc2nc(SCCCOc3ccccc3)[nH]c2c1 ZINC000005884386 563553349 /nfs/dbraw/zinc/55/33/49/563553349.db2.gz KCLNKDIWSBLQNR-UHFFFAOYSA-N 0 1 328.437 4.523 50 0 EJAAMN Clc1ccc(COc2cccc(CNCc3ccccn3)c2)cc1 ZINC000006701615 563579777 /nfs/dbraw/zinc/57/97/77/563579777.db2.gz GNFUZTFFNMSCLI-UHFFFAOYSA-N 0 1 338.838 4.604 50 0 EJAAMN CSc1ccccc1C(=O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000012597396 563664927 /nfs/dbraw/zinc/66/49/27/563664927.db2.gz QVLFGWJAQUNGAU-QGZVFWFLSA-N 0 1 325.477 4.503 50 0 EJAAMN CC(C)(C)c1nc2ccc(NC(=O)c3cccc4ncccc43)cc2[nH]1 ZINC000012792887 563671980 /nfs/dbraw/zinc/67/19/80/563671980.db2.gz AYIRQFAPITZRPU-UHFFFAOYSA-N 0 1 344.418 4.661 50 0 EJAAMN CCOc1ccc2nc(Sc3ccc(C(F)(F)F)cn3)[nH]c2c1 ZINC000012970720 563678997 /nfs/dbraw/zinc/67/89/97/563678997.db2.gz AVPTZNGTMWCFHI-UHFFFAOYSA-N 0 1 339.342 4.527 50 0 EJAAMN Oc1ccc(CN[C@@H](c2cccs2)c2ccc3c(c2)CCC3)cc1 ZINC000032845178 563761591 /nfs/dbraw/zinc/76/15/91/563761591.db2.gz NELSEETYNOWOIK-OAQYLSRUSA-N 0 1 335.472 4.822 50 0 EJAAMN CCCc1nc(SCc2cc3ccc(C)c(C)c3nc2Cl)n[nH]1 ZINC000014854617 563766030 /nfs/dbraw/zinc/76/60/30/563766030.db2.gz NSASUMTWPGWDGE-UHFFFAOYSA-N 0 1 346.887 4.868 50 0 EJAAMN CCCc1n[nH]c(SCc2cc3ccc(C)c(C)c3nc2Cl)n1 ZINC000014854617 563766034 /nfs/dbraw/zinc/76/60/34/563766034.db2.gz NSASUMTWPGWDGE-UHFFFAOYSA-N 0 1 346.887 4.868 50 0 EJAAMN COc1ccc(CN[C@H](c2ccccc2)c2ccc(C)cc2)cc1O ZINC000058023010 563936870 /nfs/dbraw/zinc/93/68/70/563936870.db2.gz FLGZSBJZNJHYCM-JOCHJYFZSA-N 0 1 333.431 4.588 50 0 EJAAMN CCOc1ccc(CN(C)Cc2ccccc2Oc2cccnc2)cc1 ZINC000058099499 563937396 /nfs/dbraw/zinc/93/73/96/563937396.db2.gz JCCINTRQCJYXLC-UHFFFAOYSA-N 0 1 348.446 4.905 50 0 EJAAMN COc1ccccc1C[C@@H]1CCCN1Cc1csc(C(C)(C)C)n1 ZINC000058167886 563938831 /nfs/dbraw/zinc/93/88/31/563938831.db2.gz RSINPSFOFTUPCI-KRWDZBQOSA-N 0 1 344.524 4.656 50 0 EJAAMN CC(C)Oc1ccc(CN2CCC[C@H]2c2cc(C(C)C)no2)cc1 ZINC000064984488 563957495 /nfs/dbraw/zinc/95/74/95/563957495.db2.gz ORGYFPJOTSVEOC-IBGZPJMESA-N 0 1 328.456 4.922 50 0 EJAAMN CCCCOc1ccc(CN2CCC[C@H]2c2cc(CC)no2)cc1 ZINC000064984396 563957507 /nfs/dbraw/zinc/95/75/07/563957507.db2.gz GKDRWZLUJJFZSU-IBGZPJMESA-N 0 1 328.456 4.753 50 0 EJAAMN CN1CCN(Cc2ccccc2Sc2cccc3ccccc32)CC1 ZINC000096246949 563980615 /nfs/dbraw/zinc/98/06/15/563980615.db2.gz SVJXTGRIPHWREP-UHFFFAOYSA-N 0 1 348.515 4.738 50 0 EJAAMN Cc1nc([C@H]2CCCN2Cc2ccc(C3CCCCC3)s2)n[nH]1 ZINC000097527928 563981622 /nfs/dbraw/zinc/98/16/22/563981622.db2.gz BEZBBRWVAWFFTN-MRXNPFEDSA-N 0 1 330.501 4.559 50 0 EJAAMN CCO[C@@H](c1ccccc1)c1ccc2c(c1)CN(C1CCC1)CCO2 ZINC000015005754 564000234 /nfs/dbraw/zinc/00/02/34/564000234.db2.gz FZODQJUXLSVGRQ-QFIPXVFZSA-N 0 1 337.463 4.559 50 0 EJAAMN COc1cccc(-c2nc3ccccc3c(NC3CCCCC3)n2)c1O ZINC000000520359 564020974 /nfs/dbraw/zinc/02/09/74/564020974.db2.gz ONBZEFAZUBCTIT-UHFFFAOYSA-N 0 1 349.434 4.756 50 0 EJAAMN Cc1ccc(F)c(NC(=O)c2cc(-c3cccc4ccccc43)n[nH]2)c1 ZINC000044838337 564027314 /nfs/dbraw/zinc/02/73/14/564027314.db2.gz VZGXBQQJJSAHOB-UHFFFAOYSA-N 0 1 345.377 4.930 50 0 EJAAMN Cc1ccc2c(CN3CCC[C@@H]3c3ccsc3)cc(=O)oc2c1 ZINC000048367587 564031557 /nfs/dbraw/zinc/03/15/57/564031557.db2.gz PUJUDTUTWQJWRK-QGZVFWFLSA-N 0 1 325.433 4.500 50 0 EJAAMN O=C1C(Nc2ccccc2F)=C2CCCC=C2N1c1ccccc1F ZINC000001424269 564066713 /nfs/dbraw/zinc/06/67/13/564066713.db2.gz UFULLZLENPNZKP-UHFFFAOYSA-N 0 1 338.357 4.745 50 0 EJAAMN C[C@H](NC(=O)[C@H](C)N(C)Cc1ccc2ccccc2c1)c1ccccc1 ZINC000012767394 564068247 /nfs/dbraw/zinc/06/82/47/564068247.db2.gz YZPQRRYNVAHOEH-ROUUACIJSA-N 0 1 346.474 4.538 50 0 EJAAMN Cc1ccc2nc(SCC(=O)C34CC5CC(CC(C5)C3)C4)[nH]c2c1 ZINC000006160984 564077059 /nfs/dbraw/zinc/07/70/59/564077059.db2.gz NMFIFHLTOXSOQP-UHFFFAOYSA-N 0 1 340.492 4.749 50 0 EJAAMN CCCc1nc2ccc(CCC(=O)Nc3cc(F)ccc3C)cc2[nH]1 ZINC000075478707 564086586 /nfs/dbraw/zinc/08/65/86/564086586.db2.gz IOVQATRNKRTLGT-UHFFFAOYSA-N 0 1 339.414 4.534 50 0 EJAAMN Cc1ccc(NC(=O)CCc2ccc3nc(C(C)C)[nH]c3c2)c(F)c1 ZINC000075478755 564086610 /nfs/dbraw/zinc/08/66/10/564086610.db2.gz VIMCIJBCAKGMDC-UHFFFAOYSA-N 0 1 339.414 4.705 50 0 EJAAMN C[C@@H](N[C@@H](CO)c1ccc(Cl)c(F)c1)c1ccc(Cl)cc1 ZINC000092769333 564089109 /nfs/dbraw/zinc/08/91/09/564089109.db2.gz IAUZZTXZEUXUMU-HWPZZCPQSA-N 0 1 328.214 4.517 50 0 EJAAMN C[C@H](N[C@@H](C[C@H]1CCOC1)c1ccccc1)c1nc2ccccc2o1 ZINC000248725458 564089304 /nfs/dbraw/zinc/08/93/04/564089304.db2.gz HVDCYEUGZSLQNM-FCEWJHQRSA-N 0 1 336.435 4.646 50 0 EJAAMN Cc1ccc2c(c1)c1c(n2CCc2ccc(F)cc2)CCCN(C)C1 ZINC000075567526 564089560 /nfs/dbraw/zinc/08/95/60/564089560.db2.gz LHLKBXHDMOIMQJ-UHFFFAOYSA-N 0 1 336.454 4.710 50 0 EJAAMN COc1cccc(-n2c(=S)[nH]nc2[C@H]2C[C@@H]2c2ccc(C)cc2)c1 ZINC000006533844 564091669 /nfs/dbraw/zinc/09/16/69/564091669.db2.gz RZLCWCPSHYSWNR-SJORKVTESA-N 0 1 337.448 4.518 50 0 EJAAMN COc1ccc(-n2c(=S)[nH]nc2[C@H]2C[C@@H]2c2ccc(C)cc2)cc1 ZINC000006533842 564091704 /nfs/dbraw/zinc/09/17/04/564091704.db2.gz SQYRRWLGSBFELZ-SJORKVTESA-N 0 1 337.448 4.518 50 0 EJAAMN Cc1oc(-c2ccccc2)nc1CN1CCC[C@@H]1c1ccc(O)cc1 ZINC000089548106 564092809 /nfs/dbraw/zinc/09/28/09/564092809.db2.gz ZWBSNWQQGSVQDU-HXUWFJFHSA-N 0 1 334.419 4.693 50 0 EJAAMN Cc1ccc2nc(S[C@H](C)c3nnc(-c4cccs4)o3)[nH]c2c1 ZINC000006649744 564095155 /nfs/dbraw/zinc/09/51/55/564095155.db2.gz ZPQDWKLSOVYTIN-SNVBAGLBSA-N 0 1 342.449 4.836 50 0 EJAAMN FC(F)(F)Oc1ccc([C@H]2NCc3ccccc3-n3cccc32)cc1 ZINC000055211070 564134450 /nfs/dbraw/zinc/13/44/50/564134450.db2.gz JJEXDQGGUVTJJC-GOSISDBHSA-N 0 1 344.336 4.569 50 0 EJAAMN C[C@@H]1CCCC[C@@H]1Nc1nc(-c2ccccc2O)nc2ccccc21 ZINC000002409188 564134636 /nfs/dbraw/zinc/13/46/36/564134636.db2.gz PSINKMOSZHXTLD-PBHICJAKSA-N 0 1 333.435 4.993 50 0 EJAAMN c1ccc2c(c1)cccc2OC[C@@H]1CN(C2CCCCC2)CS1 ZINC000019897350 564138262 /nfs/dbraw/zinc/13/82/62/564138262.db2.gz PTOXMOXKVOYELA-SFHVURJKSA-N 0 1 327.493 4.926 50 0 EJAAMN CCOc1cccc2cc([C@@H](C)N[C@@H](C)c3cnc(C)nc3C)oc21 ZINC000095967180 564143032 /nfs/dbraw/zinc/14/30/32/564143032.db2.gz XYZVXJZMLQFPEP-GXTWGEPZSA-N 0 1 339.439 4.650 50 0 EJAAMN CC[C@@H](N[C@H](C)c1cnccn1)c1ccc(OC2CCCC2)cc1 ZINC000095967882 564143086 /nfs/dbraw/zinc/14/30/86/564143086.db2.gz JZVARWKCSFVUCT-DNVCBOLYSA-N 0 1 325.456 4.600 50 0 EJAAMN CC(=O)c1ccc(O)c(NC(=O)c2sccc2-c2ccccc2)c1 ZINC000095992930 564144196 /nfs/dbraw/zinc/14/41/96/564144196.db2.gz PZCTVRXBXAVJHZ-UHFFFAOYSA-N 0 1 337.400 4.576 50 0 EJAAMN CCN(CC)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc21 ZINC000096026733 564144947 /nfs/dbraw/zinc/14/49/47/564144947.db2.gz CTSWSUTWJCCIJK-UHFFFAOYSA-N 0 1 329.831 4.719 50 0 EJAAMN CCc1n[nH]c(-c2cccc(F)c2)c1NC(=O)c1ccccc1Cl ZINC000096281955 564146353 /nfs/dbraw/zinc/14/63/53/564146353.db2.gz JPSMXRMXWNQMEM-UHFFFAOYSA-N 0 1 343.789 4.684 50 0 EJAAMN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)[N@H+]1CCC[C@@H]1c1cccs1 ZINC000057381181 564153847 /nfs/dbraw/zinc/15/38/47/564153847.db2.gz ZAFJFOWSYFHMPC-RHSMWYFYSA-N 0 1 338.476 4.946 50 0 EJAAMN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)N1CCC[C@@H]1c1cccs1 ZINC000057381181 564153848 /nfs/dbraw/zinc/15/38/48/564153848.db2.gz ZAFJFOWSYFHMPC-RHSMWYFYSA-N 0 1 338.476 4.946 50 0 EJAAMN Cc1cccc(NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)c1C ZINC000057412064 564154015 /nfs/dbraw/zinc/15/40/15/564154015.db2.gz ZKOACDPXGQIKQX-UHFFFAOYSA-N 0 1 325.799 4.599 50 0 EJAAMN CCc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1 ZINC000057412050 564154017 /nfs/dbraw/zinc/15/40/17/564154017.db2.gz NOETVOLDNKRWID-UHFFFAOYSA-N 0 1 325.799 4.545 50 0 EJAAMN CCc1ccc(NC(=O)c2cc(-c3ccccc3Cl)n[nH]2)cc1 ZINC000057412190 564154071 /nfs/dbraw/zinc/15/40/71/564154071.db2.gz QMQRCOSKBSWDDY-UHFFFAOYSA-N 0 1 325.799 4.545 50 0 EJAAMN Cc1ccc(Cl)cc1NC(=O)c1cc(-c2cccc(Cl)c2)n[nH]1 ZINC000057412659 564154125 /nfs/dbraw/zinc/15/41/25/564154125.db2.gz AJKHECUUOQJNPO-UHFFFAOYSA-N 0 1 346.217 4.944 50 0 EJAAMN CSc1cccc(NC(=O)c2cc(-c3cccc(Cl)c3)n[nH]2)c1 ZINC000057412513 564154157 /nfs/dbraw/zinc/15/41/57/564154157.db2.gz OCYDVEPAMWDJMP-UHFFFAOYSA-N 0 1 343.839 4.704 50 0 EJAAMN CCCCc1ccc(NC(=O)c2cc(-c3ccc(C)cc3)n[nH]2)cc1 ZINC000057477027 564154439 /nfs/dbraw/zinc/15/44/39/564154439.db2.gz LVMSLWSVSCOMDY-UHFFFAOYSA-N 0 1 333.435 4.980 50 0 EJAAMN CCc1c(C)scc1CN1CCN(c2ccc(Cl)cc2)CC1 ZINC000057992734 564157038 /nfs/dbraw/zinc/15/70/38/564157038.db2.gz ZZPVFUGSYIOPEP-UHFFFAOYSA-N 0 1 334.916 4.595 50 0 EJAAMN CCOc1ccc(-c2cc(C(=O)Nc3c(C)cc(C)cc3C)[nH]n2)cc1 ZINC000051315395 214087674 /nfs/dbraw/zinc/08/76/74/214087674.db2.gz GVMKZVDXLVTDQL-UHFFFAOYSA-N 0 1 349.434 4.653 50 0 EJAAMN O=C(Nc1ccccc1)[C@H](Nc1nc2ccccc2o1)c1ccccc1 ZINC000054389251 214235986 /nfs/dbraw/zinc/23/59/86/214235986.db2.gz OUBSQMSEZQNEAP-LJQANCHMSA-N 0 1 343.386 4.620 50 0 EJAAMN FC(F)(F)c1ccccc1[C@@H]1NCc2ccccc2-n2cccc21 ZINC000055028103 214265953 /nfs/dbraw/zinc/26/59/53/214265953.db2.gz XQKNXKHZYXBGMR-SFHVURJKSA-N 0 1 328.337 4.689 50 0 EJAAMN COc1ccc(-c2cnc(NCc3ccc(C(C)C)cc3)n2C)cc1 ZINC000004678595 210244563 /nfs/dbraw/zinc/24/45/63/210244563.db2.gz AJCKQDQTASBZFM-UHFFFAOYSA-N 0 1 335.451 4.831 50 0 EJAAMN CSc1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000004618330 210231576 /nfs/dbraw/zinc/23/15/76/210231576.db2.gz BWLHYNKPZZNCPT-UHFFFAOYSA-N 0 1 348.276 4.516 50 0 EJAAMN O=C(c1cc2ccccc2o1)[C@@H](Cc1ccccc1)N1CCCCC1 ZINC000003355888 210016880 /nfs/dbraw/zinc/01/68/80/210016880.db2.gz DOCXWYDRIZSBRT-LJQANCHMSA-N 0 1 333.431 4.713 50 0 EJAAMN Cc1ccc2nc(-c3ccccc3OCCCn3ccnc3)[nH]c2c1C ZINC000067803040 215215169 /nfs/dbraw/zinc/21/51/69/215215169.db2.gz ZEBYVWHGITYWDR-UHFFFAOYSA-N 0 1 346.434 4.512 50 0 EJAAMN Fc1c(CN2CCCC2)cccc1Oc1ncccc1C(F)(F)F ZINC000067851643 215231221 /nfs/dbraw/zinc/23/12/21/215231221.db2.gz SBNXSYKYRWFPPH-UHFFFAOYSA-N 0 1 340.320 4.628 50 0 EJAAMN C[C@@H](c1nc(C(C)(C)C)no1)N(C)CC12CC3CC(CC(C3)C1)C2 ZINC000040057089 213254928 /nfs/dbraw/zinc/25/49/28/213254928.db2.gz PCEKUMCEQMRZMI-IVKJLDKCSA-N 0 1 331.504 4.576 50 0 EJAAMN O=c1c2ccccc2[nH]c(=S)n1C1CCC(c2ccccc2)CC1 ZINC000027223445 202152436 /nfs/dbraw/zinc/15/24/36/202152436.db2.gz FLVSIYKSBIRSKW-UHFFFAOYSA-N 0 1 336.460 4.958 50 0 EJAAMN COc1ccc([C@H]2CCCN2[C@H](C)C(=O)c2c[nH]c3ccccc32)cc1 ZINC000037458330 213147945 /nfs/dbraw/zinc/14/79/45/213147945.db2.gz PBWZGCKMUODASB-QVKFZJNVSA-N 0 1 348.446 4.585 50 0 EJAAMN COc1ccc2nc(SCc3coc(-c4ccccc4)n3)[nH]c2c1 ZINC000032911001 202242292 /nfs/dbraw/zinc/24/22/92/202242292.db2.gz HXRGQTANPDPTPS-UHFFFAOYSA-N 0 1 337.404 4.519 50 0 EJAAMN CCOc1ccc(CN2CCC(c3ccncc3)CC2)cc1Cl ZINC000072420156 216209444 /nfs/dbraw/zinc/20/94/44/216209444.db2.gz YUJQTEORSXFAQN-UHFFFAOYSA-N 0 1 330.859 4.513 50 0 EJAAMN C[C@H](NCc1cccc2cccnc21)c1ccccc1Br ZINC000023624447 212385972 /nfs/dbraw/zinc/38/59/72/212385972.db2.gz BRUHRGSDOTWTMK-ZDUSSCGKSA-N 0 1 341.252 4.848 50 0 EJAAMN Fc1ccccc1CN1CCC(c2n[nH]cc2Cc2ccccc2)CC1 ZINC000012242413 211329913 /nfs/dbraw/zinc/32/99/13/211329913.db2.gz NSQCFTGAIZRGQX-UHFFFAOYSA-N 0 1 349.453 4.519 50 0 EJAAMN CCOc1ccc(-c2[nH]nc(C(F)(F)F)c2-c2ccccc2)c(O)c1 ZINC000009356807 211074327 /nfs/dbraw/zinc/07/43/27/211074327.db2.gz GPMYYCGNGWVSEF-UHFFFAOYSA-N 0 1 348.324 4.867 50 0 EJAAMN COc1cccc2cc([C@H](C)N[C@@H](C)c3cnn(C(C)C)c3)oc21 ZINC000095419644 218359380 /nfs/dbraw/zinc/35/93/80/218359380.db2.gz UZSGHLDVSSPDNI-KBPBESRZSA-N 0 1 327.428 4.631 50 0 EJAAMN CC[C@H](c1ccncc1)N(C)Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000095446809 218391256 /nfs/dbraw/zinc/39/12/56/218391256.db2.gz XFSQLIDUCUYMLK-LJQANCHMSA-N 0 1 341.842 4.973 50 0 EJAAMN CCOc1c(Cl)cc(Cl)cc1CNCc1ccc(OC)cc1 ZINC000004841353 520598590 /nfs/dbraw/zinc/59/85/90/520598590.db2.gz RFWGVJHOGNWQLY-UHFFFAOYSA-N 0 1 340.250 4.691 50 0 EJAAMN CN1CCC[C@H](OC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)C1 ZINC000000459957 563326148 /nfs/dbraw/zinc/32/61/48/563326148.db2.gz LIXBXGQITYSGOE-SFHVURJKSA-N 0 1 331.500 4.533 50 0 EJAAMN C[C@H]1Oc2ccccc2OC1C(=O)N(c1ccccc1)c1ccccc1 ZINC000000468687 563330092 /nfs/dbraw/zinc/33/00/92/563330092.db2.gz UFUHJAURAOIODI-IERDGZPVSA-N 0 1 345.398 4.580 50 0 EJAAMN O=C(c1cccc(CN2CCCC2)c1)c1ccccc1C(F)(F)F ZINC000002515077 563435937 /nfs/dbraw/zinc/43/59/37/563435937.db2.gz AQMWXLSDLIBTSL-UHFFFAOYSA-N 0 1 333.353 4.532 50 0 EJAAMN O=C(Nc1c(C2CC2)n[nH]c1-c1cccc(Cl)c1)c1cccs1 ZINC000034793670 563479131 /nfs/dbraw/zinc/47/91/31/563479131.db2.gz ZURICFULZRGHMA-UHFFFAOYSA-N 0 1 343.839 4.921 50 0 EJAAMN O=C(Nc1c(C2CC2)n[nH]c1-c1ccc(Cl)cc1)C1CCCC1 ZINC000034794353 563479611 /nfs/dbraw/zinc/47/96/11/563479611.db2.gz HAUWWUFNFOYMCY-UHFFFAOYSA-N 0 1 329.831 4.736 50 0 EJAAMN O=C(Nc1c(C2CC2)n[nH]c1-c1ccc(Cl)cc1)c1cccs1 ZINC000034794335 563479655 /nfs/dbraw/zinc/47/96/55/563479655.db2.gz PXMYJGQUDWFZSW-UHFFFAOYSA-N 0 1 343.839 4.921 50 0 EJAAMN CCCc1n[nH]c(-c2cccc(F)c2)c1NC(=O)C1CCCCC1 ZINC000034795085 563479926 /nfs/dbraw/zinc/47/99/26/563479926.db2.gz LKXYURRXRLZTKO-UHFFFAOYSA-N 0 1 329.419 4.687 50 0 EJAAMN CC(C)Oc1ccc(CCc2n[nH]c(=S)n2-c2ccccc2)cc1 ZINC000006238418 563561940 /nfs/dbraw/zinc/56/19/40/563561940.db2.gz ZCDVCGYZOIYVMR-UHFFFAOYSA-N 0 1 339.464 4.502 50 0 EJAAMN Clc1ccccc1COc1ccccc1CNCc1ccncc1 ZINC000006671942 563577927 /nfs/dbraw/zinc/57/79/27/563577927.db2.gz VDKDOBNLMMNJBO-UHFFFAOYSA-N 0 1 338.838 4.604 50 0 EJAAMN Clc1ccccc1-c1ccc(CNCc2ccc3c(c2)OCO3)o1 ZINC000013990432 563734566 /nfs/dbraw/zinc/73/45/66/563734566.db2.gz WQJYYSQSQGBYFR-UHFFFAOYSA-N 0 1 341.794 4.619 50 0 EJAAMN C[C@H](Sc1nc(-c2ccccc2F)n[nH]1)c1ccc(F)cc1F ZINC000059926341 563737285 /nfs/dbraw/zinc/73/72/85/563737285.db2.gz KPGUCFYXWODQIX-VIFPVBQESA-N 0 1 335.354 4.742 50 0 EJAAMN Cc1cccc(NS(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)c1 ZINC000033048495 563935243 /nfs/dbraw/zinc/93/52/43/563935243.db2.gz UHTYWKUBJHILIF-UHFFFAOYSA-N 0 1 344.263 4.719 50 0 EJAAMN Cc1cc2oc(=O)cc(CN(C)Cc3cccc(F)c3)c2cc1Cl ZINC000058167032 563938742 /nfs/dbraw/zinc/93/87/42/563938742.db2.gz XBQMEHOVUVWBSY-UHFFFAOYSA-N 0 1 345.801 4.526 50 0 EJAAMN c1ccc(-c2cc(N3C[C@@H]4[C@H]5CC[C@H](O5)[C@@H]4C3)c3ccccc3n2)cc1 ZINC000071763892 563965501 /nfs/dbraw/zinc/96/55/01/563965501.db2.gz SHYNJXCZIGDGLK-BRNYJPRKSA-N 0 1 342.442 4.515 50 0 EJAAMN CC[C@H](C)c1ccccc1NS(=O)(=O)c1cccc2cccnc21 ZINC000000205269 563998028 /nfs/dbraw/zinc/99/80/28/563998028.db2.gz KMDWWRICFITKHP-AWEZNQCLSA-N 0 1 340.448 4.549 50 0 EJAAMN Cc1ccc2nc(Nc3nc(C)cc(-c4ccccc4)n3)nc(C)c2c1 ZINC000000445184 563999638 /nfs/dbraw/zinc/99/96/38/563999638.db2.gz QPXWNFFSMDDZFT-UHFFFAOYSA-N 0 1 341.418 4.756 50 0 EJAAMN Cc1ccc2nc([C@@H](NC(=O)c3cccc(Cl)c3)C(C)C)[nH]c2c1 ZINC000005626086 564006651 /nfs/dbraw/zinc/00/66/51/564006651.db2.gz KLVFSDOBGBXUFI-KRWDZBQOSA-N 0 1 341.842 4.652 50 0 EJAAMN Fc1ccc(CNCc2ccnc(N3CCCCCC3)c2)cc1Cl ZINC000162070013 564013321 /nfs/dbraw/zinc/01/33/21/564013321.db2.gz MWRHFCBZMYOMCX-UHFFFAOYSA-N 0 1 347.865 4.544 50 0 EJAAMN Cc1ccc2nc(SCC(=O)Nc3ccc(Cl)cc3C)[nH]c2c1 ZINC000017987045 564013562 /nfs/dbraw/zinc/01/35/62/564013562.db2.gz NIMRGPAIKUOZQV-UHFFFAOYSA-N 0 1 345.855 4.564 50 0 EJAAMN CCc1cc(CN2CCC(C)CC2)c(NC(=O)c2ccccc2)s1 ZINC000005677834 564018128 /nfs/dbraw/zinc/01/81/28/564018128.db2.gz NBRWTWZHYCEUKI-UHFFFAOYSA-N 0 1 342.508 4.795 50 0 EJAAMN Cc1ccc(C)c(-c2cc(-c3nc(-c4ccccc4C)no3)[nH]n2)c1 ZINC000046914262 564025551 /nfs/dbraw/zinc/02/55/51/564025551.db2.gz ZJERFXNZHAJKJB-UHFFFAOYSA-N 0 1 330.391 4.719 50 0 EJAAMN CCOc1ccccc1-c1noc(-c2cc(-c3ccccc3C)n[nH]2)n1 ZINC000046914444 564025569 /nfs/dbraw/zinc/02/55/69/564025569.db2.gz IJJLYEGWZMVNKX-UHFFFAOYSA-N 0 1 346.390 4.501 50 0 EJAAMN Cc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3C)[nH]n2)cc1 ZINC000044837787 564027276 /nfs/dbraw/zinc/02/72/76/564027276.db2.gz GHPLQJBTFFDZNC-UHFFFAOYSA-N 0 1 325.799 4.599 50 0 EJAAMN Cc1ccccc1Cc1nnc(CN[C@@H]2C[C@H](C)CC[C@H]2C(C)C)o1 ZINC000108382313 564028178 /nfs/dbraw/zinc/02/81/78/564028178.db2.gz HDQQIMLHXLPZFI-AYOQOUSVSA-N 0 1 341.499 4.519 50 0 EJAAMN C[C@H](c1cc2ccccc2o1)N(C)C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000048252046 564030422 /nfs/dbraw/zinc/03/04/22/564030422.db2.gz JKUDXXQIZYSUOX-CQSZACIVSA-N 0 1 345.402 4.656 50 0 EJAAMN CCCCc1nc2ccc(NC(=O)c3ccc(F)cc3Cl)cc2[nH]1 ZINC000048333264 564031120 /nfs/dbraw/zinc/03/11/20/564031120.db2.gz VKXIOJZEQFPQFK-UHFFFAOYSA-N 0 1 345.805 4.950 50 0 EJAAMN Cc1ccc(-c2n[nH]c(SCc3ncc(-c4ccccc4)o3)n2)cc1 ZINC000005867904 564056721 /nfs/dbraw/zinc/05/67/21/564056721.db2.gz TUWFRNJKDRGMSD-UHFFFAOYSA-N 0 1 348.431 4.727 50 0 EJAAMN O=C(Nc1ccc2nc(CCc3ccccc3)[nH]c2c1)c1ccccc1 ZINC000015863894 564077136 /nfs/dbraw/zinc/07/71/36/564077136.db2.gz RJWWTAYKONFGCI-UHFFFAOYSA-N 0 1 341.414 4.600 50 0 EJAAMN Cc1ccc(NC(=O)[C@@H](C)N(C)Cc2ccc3ccccc3c2)c(C)c1 ZINC000012910303 564077911 /nfs/dbraw/zinc/07/79/11/564077911.db2.gz GIKBZVGTBMZLFG-GOSISDBHSA-N 0 1 346.474 4.916 50 0 EJAAMN C[C@H]1CCCCN1Cc1cc(F)cc2c1O[C@H](c1ccccc1)OC2 ZINC000016047205 564079443 /nfs/dbraw/zinc/07/94/43/564079443.db2.gz QPCFTGNGVCQFQN-YCRPNKLZSA-N 0 1 341.426 4.808 50 0 EJAAMN Clc1cc2c(s1)CC[C@H]2NCc1ccnc(OC2CCC2)c1 ZINC000090912189 564087038 /nfs/dbraw/zinc/08/70/38/564087038.db2.gz SGLNLKHZTJSSFT-CQSZACIVSA-N 0 1 334.872 4.505 50 0 EJAAMN COc1cccc(-n2c(=S)[nH]nc2[C@@H]2C[C@@H]2c2ccc(C)cc2)c1 ZINC000006533851 564091671 /nfs/dbraw/zinc/09/16/71/564091671.db2.gz RZLCWCPSHYSWNR-IAGOWNOFSA-N 0 1 337.448 4.518 50 0 EJAAMN COc1ccc(-n2c(=S)[nH]nc2[C@@H]2C[C@@H]2c2ccc(C)cc2)cc1 ZINC000006533849 564091700 /nfs/dbraw/zinc/09/17/00/564091700.db2.gz SQYRRWLGSBFELZ-IAGOWNOFSA-N 0 1 337.448 4.518 50 0 EJAAMN Cc1[nH]c2ccccc2c1C(=O)CSc1nc2ccc(C)cc2[nH]1 ZINC000006536949 564091741 /nfs/dbraw/zinc/09/17/41/564091741.db2.gz OLATYNREAIJLCC-UHFFFAOYSA-N 0 1 335.432 4.636 50 0 aggregator EJAAMN Cc1c([C@@H](C)N[C@H](C)c2ccncc2)cnn1-c1cccc(Cl)c1 ZINC000089544953 564092815 /nfs/dbraw/zinc/09/28/15/564092815.db2.gz JPUFRYKDVHSEAH-ZIAGYGMSSA-N 0 1 340.858 4.641 50 0 EJAAMN Cc1ccc2nc(SCC(=O)Nc3ccccc3C(C)C)[nH]c2c1 ZINC000006908898 564101171 /nfs/dbraw/zinc/10/11/71/564101171.db2.gz XFYGENCZTUTZEL-UHFFFAOYSA-N 0 1 339.464 4.726 50 0 EJAAMN Cc1cccc([C@H]2CCCCCN2C(=O)c2cc(C(C)C)[nH]n2)c1 ZINC000170630491 564110598 /nfs/dbraw/zinc/11/05/98/564110598.db2.gz QDRDOBUIQPZTCB-LJQANCHMSA-N 0 1 325.456 4.599 50 0 EJAAMN CC(=O)Nc1ccc(CNC(c2ccccc2)c2ccccc2)cc1 ZINC000017310811 564118043 /nfs/dbraw/zinc/11/80/43/564118043.db2.gz RYTMXGSGEQVKCM-UHFFFAOYSA-N 0 1 330.431 4.524 50 0 EJAAMN C[C@@H]1[C@H](O)C[C@H](c2ccc(Cl)cc2)N[C@H]1c1ccc(Cl)cc1 ZINC000252426437 564118360 /nfs/dbraw/zinc/11/83/60/564118360.db2.gz BPCLELONGIWKCR-INXYXQHBSA-N 0 1 336.262 4.766 50 0 EJAAMN C[C@@H]1[C@H](O)C[C@@H](c2ccc(Cl)cc2)N[C@H]1c1ccc(Cl)cc1 ZINC000252426438 564118362 /nfs/dbraw/zinc/11/83/62/564118362.db2.gz BPCLELONGIWKCR-JZDMUPLMSA-N 0 1 336.262 4.766 50 0 EJAAMN COc1ccc(Cl)cc1-c1n[nH]c(SCc2ccc(F)cc2)n1 ZINC000007605261 564120896 /nfs/dbraw/zinc/12/08/96/564120896.db2.gz GUGDTURDVIGENH-UHFFFAOYSA-N 0 1 349.818 4.565 50 0 EJAAMN CCOc1cccc2cc([C@H](C)N[C@@H](C)c3cnc(C)nc3C)oc21 ZINC000095967181 564143038 /nfs/dbraw/zinc/14/30/38/564143038.db2.gz XYZVXJZMLQFPEP-JSGCOSHPSA-N 0 1 339.439 4.650 50 0 EJAAMN COc1cc([C@H](C)NCc2ncccc2C)ccc1SC(F)F ZINC000095967776 564143088 /nfs/dbraw/zinc/14/30/88/564143088.db2.gz OTXYRKGTJFFCOP-LBPRGKRZSA-N 0 1 338.423 4.564 50 0 EJAAMN CC[C@@H](N[C@@H](C)c1cnccn1)c1ccc(OC2CCCC2)cc1 ZINC000095967880 564143092 /nfs/dbraw/zinc/14/30/92/564143092.db2.gz JZVARWKCSFVUCT-HNAYVOBHSA-N 0 1 325.456 4.600 50 0 EJAAMN Cc1ncsc1[C@H](C)NCc1ccc(C)cc1OCC(F)(F)F ZINC000095969177 564143345 /nfs/dbraw/zinc/14/33/45/564143345.db2.gz WDJPNQVRLYVWGT-NSHDSACASA-N 0 1 344.402 4.552 50 0 EJAAMN O=C(Nc1ccc(Cl)cc1)c1cc(-c2cccc(Cl)c2)n[nH]1 ZINC000057412588 564154127 /nfs/dbraw/zinc/15/41/27/564154127.db2.gz SBLVVLBDWWKCSW-UHFFFAOYSA-N 0 1 332.190 4.636 50 0 EJAAMN Cc1cc(Cl)ccc1NC(=O)c1cc(-c2cccc(Cl)c2)n[nH]1 ZINC000057412656 564154145 /nfs/dbraw/zinc/15/41/45/564154145.db2.gz WNFXYMVTWXBFAB-UHFFFAOYSA-N 0 1 346.217 4.944 50 0 EJAAMN CC(C)c1ccccc1NC(=O)CN(C)[C@H]1CCCc2ccccc21 ZINC000008126573 564162846 /nfs/dbraw/zinc/16/28/46/564162846.db2.gz QDWOPAICAFGVPC-NRFANRHFSA-N 0 1 336.479 4.758 50 0 EJAAMN C[C@@H](C(=O)Nc1ccc(Cl)cc1)N1CCC[C@@H]1c1cccs1 ZINC000008320217 564164309 /nfs/dbraw/zinc/16/43/09/564164309.db2.gz BGOONDJWFCOMKF-SWLSCSKDSA-N 0 1 334.872 4.566 50 0 EJAAMN COc1ccc(-c2cc(CN3CC=C(c4ccccc4)CC3)on2)cc1 ZINC000008853072 564167493 /nfs/dbraw/zinc/16/74/93/564167493.db2.gz LYYVOWQNOWCNDZ-UHFFFAOYSA-N 0 1 346.430 4.640 50 0 EJAAMN COc1ccc(C(C)=O)cc1CSc1nc2ccc(Cl)cc2[nH]1 ZINC000009155205 564170624 /nfs/dbraw/zinc/17/06/24/564170624.db2.gz CSKDUBATPJUXEE-UHFFFAOYSA-N 0 1 346.839 4.720 50 0 EJAAMN CCCCc1ccc(NC(=O)c2cc(-c3cccc(OC)c3)n[nH]2)cc1 ZINC000051315585 214087516 /nfs/dbraw/zinc/08/75/16/214087516.db2.gz ZPSQQTPYTKYTOT-UHFFFAOYSA-N 0 1 349.434 4.680 50 0 EJAAMN FC(F)(F)c1ccccc1[C@H]1NCc2ccccc2-n2cccc21 ZINC000055028101 214265293 /nfs/dbraw/zinc/26/52/93/214265293.db2.gz XQKNXKHZYXBGMR-GOSISDBHSA-N 0 1 328.337 4.689 50 0 EJAAMN Cc1ccc(-c2cnc(NCc3ccccc3Cl)n2C)cc1C ZINC000004678798 210244770 /nfs/dbraw/zinc/24/47/70/210244770.db2.gz NXJPYKGVIQYCCV-UHFFFAOYSA-N 0 1 325.843 4.969 50 0 EJAAMN CCOc1ccc(CNc2ncc(-c3ccc(C)c(C)c3)n2C)cc1 ZINC000004678989 210244666 /nfs/dbraw/zinc/24/46/66/210244666.db2.gz YYQUTGMRTLCQTQ-UHFFFAOYSA-N 0 1 335.451 4.715 50 0 EJAAMN COCCn1c(-c2ccccc2)cnc1NCc1ccc(C(C)C)cc1 ZINC000004679256 210244646 /nfs/dbraw/zinc/24/46/46/210244646.db2.gz KZZIPHRJJKRGOK-UHFFFAOYSA-N 0 1 349.478 4.932 50 0 EJAAMN COc1ccc(-c2cnc(NCc3c(F)cccc3Cl)n2C)cc1 ZINC000004678556 210244091 /nfs/dbraw/zinc/24/40/91/210244091.db2.gz MGPQTRJQXNENAU-UHFFFAOYSA-N 0 1 345.805 4.500 50 0 EJAAMN Cc1cc(NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)ccc1Cl ZINC000057412159 214426672 /nfs/dbraw/zinc/42/66/72/214426672.db2.gz NGPZPSGNYYKTME-UHFFFAOYSA-N 0 1 346.217 4.944 50 0 EJAAMN Cc1ccc2nc(CNCc3scnc3-c3ccccc3)[nH]c2c1C ZINC000067741887 215200049 /nfs/dbraw/zinc/20/00/49/215200049.db2.gz QGYACGDEAIYCPO-UHFFFAOYSA-N 0 1 348.475 4.593 50 0 EJAAMN Fc1c(CN2CCCC2)cccc1Oc1ccc(-c2ccccc2)nn1 ZINC000067785010 215210824 /nfs/dbraw/zinc/21/08/24/215210824.db2.gz NQGWFZHPPLWJKY-UHFFFAOYSA-N 0 1 349.409 4.671 50 0 EJAAMN Fc1c(CN2CCCC2)cccc1Oc1ccc(C(F)(F)F)cn1 ZINC000067817708 215220624 /nfs/dbraw/zinc/22/06/24/215220624.db2.gz AZOPOQJCZKCRTE-UHFFFAOYSA-N 0 1 340.320 4.628 50 0 EJAAMN Cc1cc(C)nc(Nc2nc3ccc(F)cc3c(-c3ccccc3)n2)n1 ZINC000016624835 201976816 /nfs/dbraw/zinc/97/68/16/201976816.db2.gz DCIXNGXXGGZTBU-UHFFFAOYSA-N 0 1 345.381 4.586 50 0 EJAAMN Cc1c(Cl)cccc1NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000040478280 213313967 /nfs/dbraw/zinc/31/39/67/213313967.db2.gz KWMNEJWZJUOJBE-UHFFFAOYSA-N 0 1 346.217 4.944 50 0 EJAAMN Fc1cccc([C@@H]2NCc3c4c(sc3-n3cccc32)CCCC4)c1 ZINC000020864944 202056163 /nfs/dbraw/zinc/05/61/63/202056163.db2.gz OKQIRETVJSRVTP-IBGZPJMESA-N 0 1 338.451 4.749 50 0 EJAAMN CN(CC(=O)Nc1c(Cl)cccc1Cl)[C@@H]1CCc2ccccc21 ZINC000029483239 202187608 /nfs/dbraw/zinc/18/76/08/202187608.db2.gz LAJFWEOTBROKHK-MRXNPFEDSA-N 0 1 349.261 4.551 50 0 EJAAMN COc1ccccc1CN1CCCn2cccc2[C@H]1c1ccc(C)cc1 ZINC000036347248 213086317 /nfs/dbraw/zinc/08/63/17/213086317.db2.gz HJYSYLDJMUEIGQ-HSZRJFAPSA-N 0 1 346.474 4.800 50 0 EJAAMN Cc1cccc(CN2CCCn3cccc3[C@H]2c2ccc(F)cc2)c1 ZINC000036347633 213085887 /nfs/dbraw/zinc/08/58/87/213085887.db2.gz CJTSGMCFXDGPMI-JOCHJYFZSA-N 0 1 334.438 4.931 50 0 EJAAMN COc1ccc(CN2CCCCC[C@H]2c2cccc(F)c2)c(OC)c1 ZINC000033087197 202249210 /nfs/dbraw/zinc/24/92/10/202249210.db2.gz CSCQVXKAXQTZLX-FQEVSTJZSA-N 0 1 343.442 4.960 50 0 EJAAMN COc1cccc(CN2CCCCC[C@H]2c2cccc(F)c2)c1OC ZINC000033087265 202249250 /nfs/dbraw/zinc/24/92/50/202249250.db2.gz QMMIBYHLGODFQZ-IBGZPJMESA-N 0 1 343.442 4.960 50 0 EJAAMN Cc1cccc(CN2CCCn3cccc3[C@@H]2c2ccccc2F)c1 ZINC000036347847 202321585 /nfs/dbraw/zinc/32/15/85/202321585.db2.gz FWONTTWTTGBZJY-QFIPXVFZSA-N 0 1 334.438 4.931 50 0 EJAAMN Cc1ccc2nc(-c3ccccc3NC(=O)c3cccs3)[nH]c2c1 ZINC000021362569 212222104 /nfs/dbraw/zinc/22/21/04/212222104.db2.gz DPUFCQRKZDDIJZ-UHFFFAOYSA-N 0 1 333.416 4.852 50 0 EJAAMN CCCc1nc2ccc(CCC(=O)Nc3ccc(C)c(C)c3)cc2[nH]1 ZINC000075465652 203314794 /nfs/dbraw/zinc/31/47/94/203314794.db2.gz DIQHOVOPLIGPAM-UHFFFAOYSA-N 0 1 335.451 4.704 50 0 EJAAMN C[C@H]1CCCCN1Cc1cc(F)cc2c1O[C@@H](c1ccccc1)OC2 ZINC000110534767 220043276 /nfs/dbraw/zinc/04/32/76/220043276.db2.gz QPCFTGNGVCQFQN-BTYIYWSLSA-N 0 1 341.426 4.808 50 0 EJAAMN CC(C)Oc1ccc(-c2noc(-c3cc(-c4ccccc4)n[nH]3)n2)cc1 ZINC000016841734 211937011 /nfs/dbraw/zinc/93/70/11/211937011.db2.gz ZKMDSAXQJCUAPD-UHFFFAOYSA-N 0 1 346.390 4.581 50 0 EJAAMN Cc1c2cccc(Cl)c2[nH]c1CN1CC[C@@](O)(C2CCC2)[C@H](C)C1 ZINC000091547032 218020852 /nfs/dbraw/zinc/02/08/52/218020852.db2.gz ZNVNRWXYQWKOIK-XCLFUZPHSA-N 0 1 346.902 4.503 50 0 EJAAMN Cc1ccc2nc(-c3ccc(NC(=O)c4ccccc4F)cc3)[nH]c2c1 ZINC000009668753 211113755 /nfs/dbraw/zinc/11/37/55/211113755.db2.gz RJDUPKMIVSVHPR-UHFFFAOYSA-N 0 1 345.377 4.930 50 0 EJAAMN COc1cc([C@H](C)N[C@@H]2CCOc3ccccc32)ccc1SC ZINC000095419369 218359698 /nfs/dbraw/zinc/35/96/98/218359698.db2.gz CYWWOYIAZAYJRO-XJKSGUPXSA-N 0 1 329.465 4.592 50 0 EJAAMN COc1cc([C@@H](C)NCc2scnc2C)ccc1SC(F)F ZINC000095421967 218364297 /nfs/dbraw/zinc/36/42/97/218364297.db2.gz OHZHLQBHOIOIKC-SECBINFHSA-N 0 1 344.452 4.626 50 0 EJAAMN Clc1ccc(-c2ccc(CNCc3ccncc3)o2)c(Cl)c1 ZINC000004942924 210334848 /nfs/dbraw/zinc/33/48/48/210334848.db2.gz XYLUVNTVEXORRX-UHFFFAOYSA-N 0 1 333.218 4.938 50 0 EJAAMN CCN(CC)CC(=O)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000000076010 520574945 /nfs/dbraw/zinc/57/49/45/520574945.db2.gz ZBXHFTAFUQTTJP-UHFFFAOYSA-N 0 1 346.883 4.811 50 0 EJAAMN O=C1C(=Nc2ccccc2)C[C@@H](c2cccc(F)c2)N1c1ccccc1 ZINC000000191505 563256616 /nfs/dbraw/zinc/25/66/16/563256616.db2.gz MAPYSZNNGNHTEB-NRFANRHFSA-N 0 1 344.389 4.910 50 0 EJAAMN Oc1ccccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1 ZINC000000193771 563257351 /nfs/dbraw/zinc/25/73/51/563257351.db2.gz FRSMLANYBOTORN-UHFFFAOYSA-N 0 1 325.371 4.578 50 0 EJAAMN Cc1ccc2c(C)nc(Nc3nc(C)cc(-c4ccccc4)n3)nc2c1 ZINC000000445579 563317113 /nfs/dbraw/zinc/31/71/13/563317113.db2.gz ZXUCJVKVIHOLFR-UHFFFAOYSA-N 0 1 341.418 4.756 50 0 EJAAMN O=C(Nc1ccc2nc(-c3cccs3)[nH]c2c1)c1cccs1 ZINC000001277543 563382429 /nfs/dbraw/zinc/38/24/29/563382429.db2.gz VIKFEKABXPDHAP-UHFFFAOYSA-N 0 1 325.418 4.605 50 0 EJAAMN O=C(c1cccc(CN2CCCCC2)c1)c1cc(F)cc(Cl)c1 ZINC000002515027 563435830 /nfs/dbraw/zinc/43/58/30/563435830.db2.gz URLDALNFFCKOIW-UHFFFAOYSA-N 0 1 331.818 4.696 50 0 EJAAMN O=C(c1cccc(CN2CCCCC2)c1)c1ccc(F)c(Cl)c1 ZINC000002515019 563435904 /nfs/dbraw/zinc/43/59/04/563435904.db2.gz HGHUSDJDRSWVRY-UHFFFAOYSA-N 0 1 331.818 4.696 50 0 EJAAMN O=C(c1cccc(CN2CCCC2)c1)c1cc(Cl)ccc1Cl ZINC000002515086 563436324 /nfs/dbraw/zinc/43/63/24/563436324.db2.gz GYGCGBWOCCHXSL-UHFFFAOYSA-N 0 1 334.246 4.820 50 0 EJAAMN O=C(c1cccc(CN2CCCC2)c1)c1cc(Cl)cc(Cl)c1 ZINC000002515088 563436455 /nfs/dbraw/zinc/43/64/55/563436455.db2.gz KXBJLBBZMNBYGI-UHFFFAOYSA-N 0 1 334.246 4.820 50 0 EJAAMN O=C(c1cccc(C(F)(F)F)c1)c1ccccc1CN1CCCCC1 ZINC000002515520 563436620 /nfs/dbraw/zinc/43/66/20/563436620.db2.gz PWACEDBGFLPPSC-UHFFFAOYSA-N 0 1 347.380 4.922 50 0 EJAAMN Cc1ccc(C)c(N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000004980959 563516938 /nfs/dbraw/zinc/51/69/38/563516938.db2.gz HWTIGYMZOMDMMW-UHFFFAOYSA-N 0 1 348.412 4.644 50 0 EJAAMN CC(C)=CCCCCCCN1CCN(c2ccc(C(C)=O)cc2)CC1 ZINC000004980596 563517116 /nfs/dbraw/zinc/51/71/16/563517116.db2.gz QXCHSONHRIYPBT-UHFFFAOYSA-N 0 1 342.527 4.928 50 0 EJAAMN Cc1c(O)ccc2c(=O)c(-c3ccc(F)cc3)c(C(F)(F)F)oc12 ZINC000005730083 563547727 /nfs/dbraw/zinc/54/77/27/563547727.db2.gz VRIUQPPDWBIGEB-UHFFFAOYSA-N 0 1 338.256 4.632 50 0 EJAAMN COc1ccc(-c2cc(-c3ccc4ccccc4c3O)n[nH]2)cc1OC ZINC000006493634 563570047 /nfs/dbraw/zinc/57/00/47/563570047.db2.gz ICXLGEZBHYTHDQ-UHFFFAOYSA-N 0 1 346.386 4.620 50 0 EJAAMN Clc1ccccc1COc1ccc(CNCc2ccccn2)cc1 ZINC000006704045 563581302 /nfs/dbraw/zinc/58/13/02/563581302.db2.gz DBQVOHIQFCSZSA-UHFFFAOYSA-N 0 1 338.838 4.604 50 0 EJAAMN CCN(CC)[C@H]1C(=O)Nc2ccc(Cl)cc2[C@H]1c1ccccc1 ZINC000006783628 563585998 /nfs/dbraw/zinc/58/59/98/563585998.db2.gz VBMSIUSIEAGKMP-QZTJIDSGSA-N 0 1 328.843 4.784 50 0 EJAAMN CCN(CC)[C@@H]1C(=O)Nc2ccc(Cl)cc2[C@@H]1c1ccccc1 ZINC000006783631 563586469 /nfs/dbraw/zinc/58/64/69/563586469.db2.gz VBMSIUSIEAGKMP-ROUUACIJSA-N 0 1 328.843 4.784 50 0 EJAAMN Clc1ccc(COc2cccc(CNCc3ccco3)c2)cc1 ZINC000007523642 563603836 /nfs/dbraw/zinc/60/38/36/563603836.db2.gz MZKBYQPFEPRQTC-UHFFFAOYSA-N 0 1 327.811 4.802 50 0 EJAAMN COc1cccc(CNCc2ccc(C)cc2)c1OCc1ccccc1 ZINC000007525186 563604711 /nfs/dbraw/zinc/60/47/11/563604711.db2.gz MDPARPMNULHIMP-UHFFFAOYSA-N 0 1 347.458 4.872 50 0 EJAAMN COc1ccc(-c2ccc(CNCc3ccccc3)o2)cc1Cl ZINC000007539524 563605584 /nfs/dbraw/zinc/60/55/84/563605584.db2.gz DLZXQADFDORENT-UHFFFAOYSA-N 0 1 327.811 4.898 50 0 EJAAMN Cc1ccc(C)c(NC(=O)[C@@H](C)N(C)Cc2ccc3ccccc3c2)c1 ZINC000012806661 563674427 /nfs/dbraw/zinc/67/44/27/563674427.db2.gz LOCSQFVTNWLUJX-GOSISDBHSA-N 0 1 346.474 4.916 50 0 EJAAMN Oc1ccc(Cl)cc1-c1cc(-c2cccc(Br)c2)[nH]n1 ZINC000013130421 563689987 /nfs/dbraw/zinc/68/99/87/563689987.db2.gz HBIWZNFOGCRLEA-UHFFFAOYSA-N 0 1 349.615 4.865 50 0 EJAAMN C[C@@H](Sc1nc(-c2ccccc2F)n[nH]1)c1ccc(F)cc1F ZINC000059926346 563737311 /nfs/dbraw/zinc/73/73/11/563737311.db2.gz KPGUCFYXWODQIX-SECBINFHSA-N 0 1 335.354 4.742 50 0 EJAAMN COc1ccc([C@@H]2CCCN2[C@@H](C)C(=O)c2c[nH]c3ccccc32)cc1 ZINC000015452708 563784581 /nfs/dbraw/zinc/78/45/81/563784581.db2.gz PBWZGCKMUODASB-BTYIYWSLSA-N 0 1 348.446 4.585 50 0 EJAAMN Oc1ccccc1-c1nc2ccccc2c(Nc2ccc(F)cc2)n1 ZINC000017145658 563838469 /nfs/dbraw/zinc/83/84/69/563838469.db2.gz IOPVSXRZXHNXBT-UHFFFAOYSA-N 0 1 331.350 4.885 50 0 EJAAMN Cc1ccc2nc(-c3cccc(NC(=O)c4cccs4)c3)[nH]c2c1 ZINC000018220102 563851294 /nfs/dbraw/zinc/85/12/94/563851294.db2.gz BDHYTOROWXHRFW-UHFFFAOYSA-N 0 1 333.416 4.852 50 0 EJAAMN Cc1cccc(NC(=O)c2cc(-c3cccc(Cl)c3)n[nH]2)c1C ZINC000024960600 563878183 /nfs/dbraw/zinc/87/81/83/563878183.db2.gz QCXIHDQRNYVTSE-UHFFFAOYSA-N 0 1 325.799 4.599 50 0 EJAAMN CN(CC(=O)Nc1cccc(Cl)c1Cl)[C@@H]1CCc2ccccc21 ZINC000029483142 563906750 /nfs/dbraw/zinc/90/67/50/563906750.db2.gz GSAJXLASTZAOOU-MRXNPFEDSA-N 0 1 349.261 4.551 50 0 EJAAMN COc1ccc(CN[C@@H](c2ccccc2)c2ccc(C)cc2)cc1O ZINC000058023011 563936863 /nfs/dbraw/zinc/93/68/63/563936863.db2.gz FLGZSBJZNJHYCM-QFIPXVFZSA-N 0 1 333.431 4.588 50 0 EJAAMN Cc1ccc(CN(C)Cc2cc(=O)oc3cc(C)c(Cl)cc23)cc1 ZINC000058167026 563938736 /nfs/dbraw/zinc/93/87/36/563938736.db2.gz ZRMMSXNSQYOQIJ-UHFFFAOYSA-N 0 1 341.838 4.695 50 0 EJAAMN CCn1c2ccc(F)cc2nc1CN1CCC[C@H]1c1ccccc1C ZINC000058296538 563941998 /nfs/dbraw/zinc/94/19/98/563941998.db2.gz XROXYMNMHRWABA-IBGZPJMESA-N 0 1 337.442 4.841 50 0 EJAAMN Cc1csc(C2(NCCOc3cccc4ccccc43)CCC2)n1 ZINC000097141062 563968308 /nfs/dbraw/zinc/96/83/08/563968308.db2.gz RCVDOLSOBQRUFL-UHFFFAOYSA-N 0 1 338.476 4.653 50 0 EJAAMN CC(C)CCN[C@@H]1c2ccccc2C(=O)N1[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000137580220 563999208 /nfs/dbraw/zinc/99/92/08/563999208.db2.gz BZJSNQIIXJXKDL-GJJHYRHESA-N 0 1 328.500 4.601 50 0 EJAAMN CCO[C@H](c1ccccc1)c1ccc2c(c1)CN(C1CCC1)CCO2 ZINC000015005755 564000225 /nfs/dbraw/zinc/00/02/25/564000225.db2.gz FZODQJUXLSVGRQ-JOCHJYFZSA-N 0 1 337.463 4.559 50 0 EJAAMN COc1ccc(CSc2nc(Cc3ccccc3)c(C)[nH]2)cc1F ZINC000005312467 564002545 /nfs/dbraw/zinc/00/25/45/564002545.db2.gz GNZIETSBQNZYKO-UHFFFAOYSA-N 0 1 342.439 4.749 50 0 EJAAMN CN1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)c2ccccc2Cl)C1 ZINC000005525686 564004954 /nfs/dbraw/zinc/00/49/54/564004954.db2.gz TZYCOGSJLNLMCK-JKSUJKDBSA-N 0 1 334.246 4.522 50 0 EJAAMN Cc1ccc2nc([C@H](NC(=O)c3cccc(Cl)c3)C(C)C)[nH]c2c1 ZINC000005626082 564006576 /nfs/dbraw/zinc/00/65/76/564006576.db2.gz KLVFSDOBGBXUFI-QGZVFWFLSA-N 0 1 341.842 4.652 50 0 EJAAMN O=S(=O)(Nc1cccc2ccccc21)c1cccc2ccccc21 ZINC000000345648 564012397 /nfs/dbraw/zinc/01/23/97/564012397.db2.gz UOBPZRTXRJMRLU-UHFFFAOYSA-N 0 1 333.412 4.794 50 0 EJAAMN COc1ccc(Oc2nc(-c3ccccc3O)nc3ccccc32)cc1 ZINC000000533310 564021969 /nfs/dbraw/zinc/02/19/69/564021969.db2.gz BEUPWNJMJNPUNA-UHFFFAOYSA-N 0 1 344.370 4.803 50 0 EJAAMN CCOc1cc2c(cc1CN1CCC[C@H]1c1c(C)noc1C)CCC2 ZINC000215939412 564033705 /nfs/dbraw/zinc/03/37/05/564033705.db2.gz GKVZWNQEUKMUGC-IBGZPJMESA-N 0 1 340.467 4.516 50 0 EJAAMN CCOc1ccc2nc(SCc3nc4ccccc4s3)[nH]c2c1 ZINC000012652205 564062425 /nfs/dbraw/zinc/06/24/25/564062425.db2.gz CCJCEZFTVIYEIF-UHFFFAOYSA-N 0 1 341.461 4.864 50 0 EJAAMN CCOc1cc(CN2CCC[C@H]2c2ccc(Cl)cc2)ccc1O ZINC000015836740 564076415 /nfs/dbraw/zinc/07/64/15/564076415.db2.gz IQVMMMAFPKFDFR-KRWDZBQOSA-N 0 1 331.843 4.781 50 0 EJAAMN Cc1ccc2nc(CCc3cccc(NC(=O)c4ccco4)c3)[nH]c2c1 ZINC000015863581 564077101 /nfs/dbraw/zinc/07/71/01/564077101.db2.gz DYFJQUYMUWMJKO-UHFFFAOYSA-N 0 1 345.402 4.502 50 0 EJAAMN CC(C)c1nc2ccc(CCC(=O)Nc3cc(F)cc(F)c3)cc2[nH]1 ZINC000075465780 564086036 /nfs/dbraw/zinc/08/60/36/564086036.db2.gz ZRRBOTFIIUJJIF-UHFFFAOYSA-N 0 1 343.377 4.536 50 0 EJAAMN Cc1ccc(F)c(NC(=O)CCc2ccc3nc(C(C)C)[nH]c3c2)c1 ZINC000075478757 564086671 /nfs/dbraw/zinc/08/66/71/564086671.db2.gz ITSRLKFFJYCVBB-UHFFFAOYSA-N 0 1 339.414 4.705 50 0 EJAAMN C[C@H]1CCCN(CCOc2ccc3ccccc3c2Br)C1 ZINC000004914380 564093174 /nfs/dbraw/zinc/09/31/74/564093174.db2.gz AIMUFYVOHLVFCJ-AWEZNQCLSA-N 0 1 348.284 4.713 50 0 EJAAMN Cc1cccc(N2CCN(Cc3csc4c3CCCC4)CC2)c1C ZINC000006797675 564098052 /nfs/dbraw/zinc/09/80/52/564098052.db2.gz PPGJLHUHLQLOKE-UHFFFAOYSA-N 0 1 340.536 4.566 50 0 EJAAMN CN(Cc1ccc(C(=O)Nc2ccccc2)cc1)Cc1cccc(F)c1 ZINC000007017379 564103179 /nfs/dbraw/zinc/10/31/79/564103179.db2.gz AAAJJUYBXZPZRY-UHFFFAOYSA-N 0 1 348.421 4.710 50 0 EJAAMN O=C(Nc1cccc(Cl)c1)c1cn[nH]c1-c1ccc(Cl)cc1 ZINC000014207615 564112332 /nfs/dbraw/zinc/11/23/32/564112332.db2.gz SRKJADFVZPCAAV-UHFFFAOYSA-N 0 1 332.190 4.636 50 0 EJAAMN O=C(CN1CCCCCCC1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000007779711 564123116 /nfs/dbraw/zinc/12/31/16/564123116.db2.gz HZLTZQDGMYTUSS-UHFFFAOYSA-N 0 1 348.796 4.563 50 0 EJAAMN C[C@H]1CCCC[C@H]1Nc1nc(-c2ccccc2O)nc2ccccc21 ZINC000002409185 564134629 /nfs/dbraw/zinc/13/46/29/564134629.db2.gz PSINKMOSZHXTLD-WMLDXEAASA-N 0 1 333.435 4.993 50 0 EJAAMN Cc1ccc(C(=O)CSc2nc(C=Cc3ccccc3)n[nH]2)cc1C ZINC000012977397 564135756 /nfs/dbraw/zinc/13/57/56/564135756.db2.gz CGKMPXDTHITVQD-PKNBQFBNSA-N 0 1 349.459 4.567 50 0 EJAAMN Cc1ccc2c(c1)nc(CCNCc1c(Cl)cccc1Cl)n2C ZINC000078823163 564137233 /nfs/dbraw/zinc/13/72/33/564137233.db2.gz CFOLUVDKGPVPRD-UHFFFAOYSA-N 0 1 348.277 4.521 50 0 EJAAMN COc1cc([C@@H](C)N[C@H]2CCOc3ccccc32)ccc1SC ZINC000095419372 564139776 /nfs/dbraw/zinc/13/97/76/564139776.db2.gz CYWWOYIAZAYJRO-CJNGLKHVSA-N 0 1 329.465 4.592 50 0 EJAAMN CCOc1ncccc1CN[C@@H](C)c1ccc(OC(C)(C)C)cc1 ZINC000095943439 564142118 /nfs/dbraw/zinc/14/21/18/564142118.db2.gz BDVXBSJEEMUPHF-HNNXBMFYSA-N 0 1 328.456 4.508 50 0 EJAAMN Clc1ccc(Oc2ccc(Nc3ncnc4[nH]cnc43)cc2)cc1 ZINC000002719595 564152195 /nfs/dbraw/zinc/15/21/95/564152195.db2.gz DCQNTERJAOAFCF-UHFFFAOYSA-N 0 1 337.770 4.542 50 0 EJAAMN Cc1ccc(NC(=O)c2cc(-c3ccccc3Cl)n[nH]2)cc1C ZINC000057412179 564154006 /nfs/dbraw/zinc/15/40/06/564154006.db2.gz JKTBFDMIQBITBB-UHFFFAOYSA-N 0 1 325.799 4.599 50 0 EJAAMN O=c1c(-c2ccc(Cl)cc2)c[nH]n1-c1cccc(C(F)(F)F)c1 ZINC000003133802 564155390 /nfs/dbraw/zinc/15/53/90/564155390.db2.gz WDWNFNKSOZZQOA-UHFFFAOYSA-N 0 1 338.716 4.505 50 0 EJAAMN Cc1ccc(NC(=O)[C@@H](C)Sc2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000003501059 564158521 /nfs/dbraw/zinc/15/85/21/564158521.db2.gz YKURYWRVDBRMPS-LLVKDONJSA-N 0 1 345.855 4.644 50 0 EJAAMN C[C@H]([C@@H](C)c1ccc(Cl)cc1)[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000263571879 564164380 /nfs/dbraw/zinc/16/43/80/564164380.db2.gz KAPAFTKZXYALRS-ZIAGYGMSSA-N 0 1 331.843 4.662 50 0 EJAAMN C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000263571878 564164384 /nfs/dbraw/zinc/16/43/84/564164384.db2.gz KAPAFTKZXYALRS-UONOGXRCSA-N 0 1 331.843 4.662 50 0 EJAAMN COc1cccc2cc(CN[C@H]3CCOc4c(Cl)cccc43)oc21 ZINC000067248737 564165425 /nfs/dbraw/zinc/16/54/25/564165425.db2.gz GOVSSYVGXIIFOH-INIZCTEOSA-N 0 1 343.810 4.708 50 0 EJAAMN O=C(Nc1ccc2nc(-c3cccnc3)[nH]c2c1)c1ccccc1Cl ZINC000071280773 564174879 /nfs/dbraw/zinc/17/48/79/564174879.db2.gz CRJHHUUXGWSNMR-UHFFFAOYSA-N 0 1 348.793 4.531 50 0 EJAAMN COc1cc(CN2CCC[C@@H]2c2ccc(Cl)cc2)cc(OC)c1 ZINC000015836712 568420143 /nfs/dbraw/zinc/42/01/43/568420143.db2.gz SLPFUYBSNWLTIB-LJQANCHMSA-N 0 1 331.843 4.694 50 0 EJAAMN COc1cc(CN2CCC[C@H]2c2ccc(Cl)cc2)cc(OC)c1 ZINC000015836714 568420175 /nfs/dbraw/zinc/42/01/75/568420175.db2.gz SLPFUYBSNWLTIB-IBGZPJMESA-N 0 1 331.843 4.694 50 0 EJAAMN COc1cccc(CNCc2cccs2)c1OCc1ccccc1 ZINC000004488515 210201096 /nfs/dbraw/zinc/20/10/96/210201096.db2.gz XNJSKRHJMKKXPJ-UHFFFAOYSA-N 0 1 339.460 4.626 50 0 EJAAMN Cc1cc([C@@H]2CCCN2Cc2ccc(OCc3ccccc3)cc2)on1 ZINC000064666840 214798750 /nfs/dbraw/zinc/79/87/50/214798750.db2.gz UOVRXHDWRDUKQI-NRFANRHFSA-N 0 1 348.446 4.899 50 0 EJAAMN c1coc(-c2n[nH]c(-c3nc4ccccc4[nH]3)c2-c2ccccc2)c1 ZINC000004036646 210105893 /nfs/dbraw/zinc/10/58/93/210105893.db2.gz ZFMMKRLTIWSQFR-UHFFFAOYSA-N 0 1 326.359 4.880 50 0 EJAAMN c1ccc2oc(CN3CCC[C@H](c4nc5ccccc5s4)C3)nc2c1 ZINC000023989918 202111253 /nfs/dbraw/zinc/11/12/53/202111253.db2.gz ZIZIXFSOLVCOOO-AWEZNQCLSA-N 0 1 349.459 4.817 50 0 EJAAMN CN(CC(=O)Nc1cc(Cl)ccc1Cl)[C@H]1CCc2ccccc21 ZINC000029482636 202187794 /nfs/dbraw/zinc/18/77/94/202187794.db2.gz ZJDXLGCYHNUWIR-KRWDZBQOSA-N 0 1 349.261 4.551 50 0 EJAAMN COc1ccc(CN2CCCCC[C@@H]2c2cccc(F)c2)c(OC)c1 ZINC000033087196 202250080 /nfs/dbraw/zinc/25/00/80/202250080.db2.gz CSCQVXKAXQTZLX-HXUWFJFHSA-N 0 1 343.442 4.960 50 0 EJAAMN Cc1ccccc1-n1c(=S)[nH]nc1C12CC3CC(CC(C3)C1)C2 ZINC000005041736 541305337 /nfs/dbraw/zinc/30/53/37/541305337.db2.gz GWBGKTQUCNJBER-UHFFFAOYSA-N 0 1 325.481 4.706 50 0 EJAAMN C[C@@H]1CCCCN1Cc1cc(F)cc2c1O[C@@H](c1ccccc1)OC2 ZINC000195560982 241009167 /nfs/dbraw/zinc/00/91/67/241009167.db2.gz QPCFTGNGVCQFQN-VFNWGFHPSA-N 0 1 341.426 4.808 50 0 EJAAMN CCc1onc(C)c1[C@@H]1CCCN1Cc1ccccc1OC(C)C ZINC000021720924 212245206 /nfs/dbraw/zinc/24/52/06/212245206.db2.gz WZYWGLRUVPZHGX-KRWDZBQOSA-N 0 1 328.456 4.670 50 0 EJAAMN Fc1ccccc1-c1n[nH]c(SCc2ccc(Cl)s2)n1 ZINC000021374211 212223719 /nfs/dbraw/zinc/22/37/19/212223719.db2.gz MSTWLPOLFQCNQI-UHFFFAOYSA-N 0 1 325.821 4.618 50 0 EJAAMN Cc1ccc(-c2noc(CSc3nc4ccc(C)cc4[nH]3)n2)cc1 ZINC000021364704 212222916 /nfs/dbraw/zinc/22/29/16/212222916.db2.gz PMKPPPCDIXQZMQ-UHFFFAOYSA-N 0 1 336.420 4.522 50 0 EJAAMN COc1ccc2nc(Nc3nc4ccccc4nc3Cl)sc2c1 ZINC000004744963 201616432 /nfs/dbraw/zinc/61/64/32/201616432.db2.gz DRPKNAZHEMVWKW-UHFFFAOYSA-N 0 1 342.811 4.645 50 0 EJAAMN c1csc([C@H]2NCc3c4c(sc3-n3cccc32)CCCC4)c1 ZINC000020865013 212178695 /nfs/dbraw/zinc/17/86/95/212178695.db2.gz KZKQGMLJOQPPPJ-KRWDZBQOSA-N 0 1 326.490 4.672 50 0 EJAAMN Cc1cc(C)c2oc(-c3ccc(O)c(Br)c3)cc(=O)c2c1 ZINC000020272618 212115706 /nfs/dbraw/zinc/11/57/06/212115706.db2.gz PKWNUOFSXKEGGT-UHFFFAOYSA-N 0 1 345.192 4.545 50 0 EJAAMN CC(C)c1cc([C@@H]2CCCN2Cc2c[nH]nc2-c2ccccc2)on1 ZINC000075448609 203314979 /nfs/dbraw/zinc/31/49/79/203314979.db2.gz BAACWUNVVXCWQE-SFHVURJKSA-N 0 1 336.439 4.525 50 0 EJAAMN Cc1ccccc1-c1n[nH]c(SCCOc2ccc(Cl)cc2)n1 ZINC000007342019 206522151 /nfs/dbraw/zinc/52/21/51/206522151.db2.gz WTTKVJBDJPEZOH-UHFFFAOYSA-N 0 1 345.855 4.605 50 0 EJAAMN Clc1ccccc1-c1noc(-c2cc(-c3cccs3)n[nH]2)n1 ZINC000009002118 211030163 /nfs/dbraw/zinc/03/01/63/211030163.db2.gz QVMHRKKWAROTCL-UHFFFAOYSA-N 0 1 328.784 4.509 50 0 EJAAMN Cc1[nH]nc2cc(NC(=O)c3ccc(SC(C)C)cc3)ccc12 ZINC000095455967 218399786 /nfs/dbraw/zinc/39/97/86/218399786.db2.gz DTOICSGSTLESOQ-UHFFFAOYSA-N 0 1 325.437 4.624 50 0 EJAAMN CCOc1ccccc1N1CCN(Cc2ccc3ccccc3c2)CC1 ZINC000055544051 132196284 /nfs/dbraw/zinc/19/62/84/132196284.db2.gz YKKCUSNWHULBCV-UHFFFAOYSA-N 0 1 346.474 4.561 50 0 EJAAMN Fc1ccccc1CN1CCC(c2nc3ccccc3s2)CC1 ZINC000008201786 518196166 /nfs/dbraw/zinc/19/61/66/518196166.db2.gz ONFIMDFBEGSBDN-UHFFFAOYSA-N 0 1 326.440 4.815 50 0 EJAAMN CCc1cccc(C)c1NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000000101822 563226270 /nfs/dbraw/zinc/22/62/70/563226270.db2.gz FSUGXSGRKBWMGH-UHFFFAOYSA-N 0 1 344.263 4.665 50 0 EJAAMN CCCc1n[nH]c(-c2cccc(Cl)c2)c1NC(=O)c1ccccc1 ZINC000034794687 563479678 /nfs/dbraw/zinc/47/96/78/563479678.db2.gz VYKVSMWNHBRWFO-UHFFFAOYSA-N 0 1 339.826 4.935 50 0 EJAAMN O=C(c1ccc2c3c(cccc31)CC2)[C@@H]1CCCN(Cc2ccoc2)C1 ZINC000012439394 563660844 /nfs/dbraw/zinc/66/08/44/563660844.db2.gz MHTKVKXIRZZGTA-LJQANCHMSA-N 0 1 345.442 4.626 50 0 EJAAMN Cc1cc(C)n(-c2ccc(CN(Cc3ccccc3F)C3CC3)cc2)n1 ZINC000012974862 563680219 /nfs/dbraw/zinc/68/02/19/563680219.db2.gz AZQWIYFWPCTRPG-UHFFFAOYSA-N 0 1 349.453 4.793 50 0 EJAAMN CC(=O)c1c(C)[nH]c(C(=O)CN[C@@H](C)c2ccc3ccccc3c2)c1C ZINC000014124183 563743252 /nfs/dbraw/zinc/74/32/52/563743252.db2.gz SCIIABVPOSOHJU-AWEZNQCLSA-N 0 1 348.446 4.521 50 0 EJAAMN Cc1ccc(-c2cc(C(=O)N(C)c3ccc4ccccc4c3)[nH]n2)s1 ZINC000024464510 563871605 /nfs/dbraw/zinc/87/16/05/563871605.db2.gz CJZJVVOIJJBDGQ-UHFFFAOYSA-N 0 1 347.443 4.876 50 0 EJAAMN O=C(Nc1cccc(Cl)c1)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000024961144 563878302 /nfs/dbraw/zinc/87/83/02/563878302.db2.gz AFBKLMLNNUJTQO-UHFFFAOYSA-N 0 1 332.190 4.636 50 0 EJAAMN CCCCC(=O)NC[C@H](c1ccccc1Cl)N1CCCCCC1 ZINC000027584010 563897352 /nfs/dbraw/zinc/89/73/52/563897352.db2.gz BBOZOVPZWXTDHZ-GOSISDBHSA-N 0 1 336.907 4.564 50 0 EJAAMN CN(CC(=O)Nc1ccccc1C(C)(C)C)[C@@H]1CCc2ccccc21 ZINC000029488667 563906821 /nfs/dbraw/zinc/90/68/21/563906821.db2.gz QKDKLXFPKREGNT-HXUWFJFHSA-N 0 1 336.479 4.542 50 0 EJAAMN CCOc1cc(CN2CC=C(c3ccc(F)cc3)CC2)ccc1OC ZINC000004985459 563919011 /nfs/dbraw/zinc/91/90/11/563919011.db2.gz ADFLBZSPSOBNMM-UHFFFAOYSA-N 0 1 341.426 4.522 50 0 EJAAMN Cc1ccc2c(CN(C)Cc3ccc(Cl)cc3)cc(=O)oc2c1C ZINC000057380576 563935594 /nfs/dbraw/zinc/93/55/94/563935594.db2.gz QVIWZDASLGRDSV-UHFFFAOYSA-N 0 1 341.838 4.695 50 0 EJAAMN CCc1cccc2c(C(=O)CN3CCC[C@H]3c3cccs3)c[nH]c21 ZINC000058160801 563938432 /nfs/dbraw/zinc/93/84/32/563938432.db2.gz KVPVOQIYZTYSHG-KRWDZBQOSA-N 0 1 338.476 4.812 50 0 EJAAMN CC(C)Oc1ccc(CN2CCC[C@@H]2c2cc(C(C)C)no2)cc1 ZINC000064984489 563957435 /nfs/dbraw/zinc/95/74/35/563957435.db2.gz ORGYFPJOTSVEOC-LJQANCHMSA-N 0 1 328.456 4.922 50 0 EJAAMN COc1ccc(Oc2cccc(CN3CCCC3)c2Cl)cc1OC ZINC000067787832 563962790 /nfs/dbraw/zinc/96/27/90/563962790.db2.gz BKJBRTMCBMTPBB-UHFFFAOYSA-N 0 1 347.842 4.745 50 0 EJAAMN Cc1ccc2nc(-c3cccc(NC(=O)c4ccc(F)cc4)c3)[nH]c2c1 ZINC000033328619 563974292 /nfs/dbraw/zinc/97/42/92/563974292.db2.gz STVRHEMBCGLNSO-UHFFFAOYSA-N 0 1 345.377 4.930 50 0 EJAAMN Oc1ccc(-c2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)cc1 ZINC000089221712 563974676 /nfs/dbraw/zinc/97/46/76/563974676.db2.gz QHKYPYXTTXKZST-UHFFFAOYSA-N 0 1 331.350 4.650 50 0 in-vivo EJAAMN CN(c1ncc2c(Cl)cc(C(F)(F)F)cn21)c1ccccc1 ZINC000263639971 563984341 /nfs/dbraw/zinc/98/43/41/563984341.db2.gz QNJCZRRRQHAJEE-UHFFFAOYSA-N 0 1 325.721 4.774 50 0 EJAAMN Cc1sc(-c2cc3ccc(O)cc3oc2=O)nc1-c1ccc(C)cc1 ZINC000000377807 563991908 /nfs/dbraw/zinc/99/19/08/563991908.db2.gz ZFCWHENYOMPHCR-UHFFFAOYSA-N 0 1 349.411 4.906 50 0 EJAAMN Cc1ccc2nc(S[C@@H](C)c3nnc(-c4ccccc4)o3)[nH]c2c1 ZINC000005165185 563997936 /nfs/dbraw/zinc/99/79/36/563997936.db2.gz VMQVLDNZRFWDDH-LBPRGKRZSA-N 0 1 336.420 4.775 50 0 EJAAMN Cc1oc(-c2ccccc2)nc1CCNCc1c(F)cccc1Cl ZINC000078758018 564000921 /nfs/dbraw/zinc/00/09/21/564000921.db2.gz YIIBMZHUDUVFDZ-UHFFFAOYSA-N 0 1 344.817 4.775 50 0 EJAAMN CC[C@@H]1CCCCN1c1nc(-c2ccccc2O)nc2ccccc21 ZINC000005562110 564005580 /nfs/dbraw/zinc/00/55/80/564005580.db2.gz IEGDVRGHVDVMGS-OAHLLOKOSA-N 0 1 333.435 4.771 50 0 EJAAMN Cc1ccc(-c2cc(C(=O)Nc3ccc(Cl)c(C)c3)[nH]n2)cc1 ZINC000044837850 564027342 /nfs/dbraw/zinc/02/73/42/564027342.db2.gz AVZALDHLPYPYCJ-UHFFFAOYSA-N 0 1 325.799 4.599 50 0 EJAAMN O=C(Nc1cc(F)cc(F)c1)c1cc(-c2cccc3ccccc32)n[nH]1 ZINC000044838132 564027348 /nfs/dbraw/zinc/02/73/48/564027348.db2.gz ZEMBLHNELWTCNL-UHFFFAOYSA-N 0 1 349.340 4.760 50 0 EJAAMN Cc1ccc2nc(SCC(=O)Nc3cc(Cl)ccc3C)[nH]c2c1 ZINC000006908887 564033797 /nfs/dbraw/zinc/03/37/97/564033797.db2.gz AMTWVMVWVQLHDA-UHFFFAOYSA-N 0 1 345.855 4.564 50 0 EJAAMN CCCC[C@H]1C=CCN1C(=O)c1cccc(-c2c(C)n[nH]c2C2CC2)c1 ZINC000534667786 564061573 /nfs/dbraw/zinc/06/15/73/564061573.db2.gz HQEGAWUCDLLDOE-IBGZPJMESA-N 0 1 349.478 4.833 50 0 EJAAMN C[C@H](c1nc(-c2cccs2)no1)N1CCC(c2ccccc2)CC1 ZINC000084667782 564069539 /nfs/dbraw/zinc/06/95/39/564069539.db2.gz QMKMTWBDGYZBLX-CQSZACIVSA-N 0 1 339.464 4.739 50 0 EJAAMN CCN(Cc1ccc(Cl)cc1)Cc1cc(=O)c2cccc(F)c2[nH]1 ZINC000015862287 564077035 /nfs/dbraw/zinc/07/70/35/564077035.db2.gz NEGFHOGEBICOER-UHFFFAOYSA-N 0 1 344.817 4.755 50 0 EJAAMN CCc1ccc(/C=C2/CN(C)C/C(=C/c3ccc(CC)cc3)C2O)cc1 ZINC000075260355 564081280 /nfs/dbraw/zinc/08/12/80/564081280.db2.gz OLLXKZAKKAXRMF-VMTNTFKOSA-N 0 1 347.502 4.585 50 0 EJAAMN Cc1ccc(C)c(NC(=O)CCc2ccc3nc(C(C)C)[nH]c3c2)c1 ZINC000075478736 564086652 /nfs/dbraw/zinc/08/66/52/564086652.db2.gz XLOGDYSQLZVWPJ-UHFFFAOYSA-N 0 1 335.451 4.874 50 0 EJAAMN O=C(CCc1ccc2nc(-c3ccccc3)[nH]c2c1)N1CCCCCC1 ZINC000075478953 564086662 /nfs/dbraw/zinc/08/66/62/564086662.db2.gz DWYYBYYZELLCDE-UHFFFAOYSA-N 0 1 347.462 4.565 50 0 EJAAMN C[C@H](N[C@H](C[C@H]1CCOC1)c1ccccc1)c1nc2ccccc2o1 ZINC000248725462 564089295 /nfs/dbraw/zinc/08/92/95/564089295.db2.gz HVDCYEUGZSLQNM-FRQCXROJSA-N 0 1 336.435 4.646 50 0 EJAAMN CC[C@H](C)c1ccccc1NC(=O)[C@H](C)N(C)Cc1ccccc1C ZINC000006841324 564099378 /nfs/dbraw/zinc/09/93/78/564099378.db2.gz FEQFRLZEPJCXTE-WMZOPIPTSA-N 0 1 338.495 4.968 50 0 EJAAMN c1ccc2c(c1)nc(CN1CCCC1)n2Cc1cccc2ccccc21 ZINC000027757736 564134415 /nfs/dbraw/zinc/13/44/15/564134415.db2.gz UTMJMRRJUYILTJ-UHFFFAOYSA-N 0 1 341.458 4.834 50 0 EJAAMN Cc1ccc([C@H](NCc2cccc3c2OCCCO3)C2CCCC2)o1 ZINC000095462845 564140878 /nfs/dbraw/zinc/14/08/78/564140878.db2.gz LGBCNMMUICBZAQ-HXUWFJFHSA-N 0 1 341.451 4.770 50 0 EJAAMN Cc1nc(CCN[C@@H](c2cc3ccccc3o2)c2cccnc2)cs1 ZINC000095996263 564144238 /nfs/dbraw/zinc/14/42/38/564144238.db2.gz KDMHRHWFHJBXCC-HXUWFJFHSA-N 0 1 349.459 4.514 50 0 EJAAMN Cc1ccccc1Cc1nnc(CN[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)o1 ZINC000095995941 564144263 /nfs/dbraw/zinc/14/42/63/564144263.db2.gz HDQQIMLHXLPZFI-KFKAGJAMSA-N 0 1 341.499 4.519 50 0 EJAAMN CN(C)[C@@H](C(=O)c1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000002631275 564151469 /nfs/dbraw/zinc/15/14/69/564151469.db2.gz SZXDHSMXKRLDLO-JOCHJYFZSA-N 0 1 329.443 4.632 50 0 EJAAMN Cc1cccc(C)c1NC(=O)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000057412209 564154093 /nfs/dbraw/zinc/15/40/93/564154093.db2.gz IZPKVSNWPUBXEE-UHFFFAOYSA-N 0 1 325.799 4.599 50 0 EJAAMN CSc1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)n[nH]2)cc1 ZINC000057412700 564154135 /nfs/dbraw/zinc/15/41/35/564154135.db2.gz BVVDHDUTDMVTMM-UHFFFAOYSA-N 0 1 343.839 4.704 50 0 EJAAMN Cc1ccc(-c2cc(C(=O)Nc3ccc(C(F)(F)F)cc3)[nH]n2)cc1 ZINC000057477050 564154437 /nfs/dbraw/zinc/15/44/37/564154437.db2.gz XJQNZTKHWIDXHG-UHFFFAOYSA-N 0 1 345.324 4.656 50 0 EJAAMN COc1ccc2nc(SCc3coc(-c4cccs4)n3)[nH]c2c1 ZINC000004252295 564161261 /nfs/dbraw/zinc/16/12/61/564161261.db2.gz NRTVOOAKQXWSKF-UHFFFAOYSA-N 0 1 343.433 4.580 50 0 EJAAMN C[C@@H](C(=O)Nc1cccc(Cl)c1)N1CCC[C@@H]1c1cccs1 ZINC000008320644 564164354 /nfs/dbraw/zinc/16/43/54/564164354.db2.gz YIDXPZFRIWKIBD-SWLSCSKDSA-N 0 1 334.872 4.566 50 0 EJAAMN Cc1c2ccccc2oc1C(=O)CSc1nc2ccc(C)cc2[nH]1 ZINC000008345747 564164678 /nfs/dbraw/zinc/16/46/78/564164678.db2.gz OPPQDNPTGDUJBZ-UHFFFAOYSA-N 0 1 336.416 4.901 50 0 EJAAMN Cc1cc(Cl)ccc1OCc1n[nH]c(-c2ccc(Cl)cc2)n1 ZINC000009871262 564174729 /nfs/dbraw/zinc/17/47/29/564174729.db2.gz MNSZAFQFKQHHFZ-UHFFFAOYSA-N 0 1 334.206 4.666 50 0 EJAAMN C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)c2ccc(O)c(Cl)c2)C2CC2)o1 ZINC000071811818 564175593 /nfs/dbraw/zinc/17/55/93/564175593.db2.gz USWPIBHHGRRSJT-ABAIWWIYSA-N 0 1 345.826 4.567 50 0 EJAAMN C[C@H](Nc1ccc(N2CCCCCC2)cc1)c1nc(C(C)(C)C)no1 ZINC000073637284 564176386 /nfs/dbraw/zinc/17/63/86/564176386.db2.gz LADLBQFBOQAKTC-HNNXBMFYSA-N 0 1 342.487 4.921 50 0 EJAAMN Cc1cc(C(=O)CSc2nc3ccc(C)cc3[nH]2)c(C)n1C1CC1 ZINC000006908901 201705077 /nfs/dbraw/zinc/70/50/77/201705077.db2.gz LYRIYYFZPSWKIF-UHFFFAOYSA-N 0 1 339.464 4.600 50 0 EJAAMN COCCN(Cc1ccc([C@@H]2CCCO2)s1)Cc1ccc(C)cc1 ZINC000055166505 214281817 /nfs/dbraw/zinc/28/18/17/214281817.db2.gz IWJMUOXEGGSOQO-IBGZPJMESA-N 0 1 345.508 4.557 50 0 EJAAMN Cn1c(-c2ccc(F)cc2)cnc1NCc1c(F)cccc1Cl ZINC000004678541 210243837 /nfs/dbraw/zinc/24/38/37/210243837.db2.gz ZXFWRQYTLCEWDJ-UHFFFAOYSA-N 0 1 333.769 4.631 50 0 EJAAMN O=C(Nc1cccc(Cl)c1)c1cc(-c2cccc(Cl)c2)n[nH]1 ZINC000057412586 214426126 /nfs/dbraw/zinc/42/61/26/214426126.db2.gz CZFAWAMUVSSLJU-UHFFFAOYSA-N 0 1 332.190 4.636 50 0 EJAAMN CCc1cccc(NC(=O)c2cc(-c3cccc(Cl)c3)n[nH]2)c1 ZINC000057412466 214426490 /nfs/dbraw/zinc/42/64/90/214426490.db2.gz DDPZGTQHENDXFV-UHFFFAOYSA-N 0 1 325.799 4.545 50 0 EJAAMN Cc1ccc(C)c(-c2cc(-c3nc(-c4cccc(F)c4)no3)[nH]n2)c1 ZINC000046914309 213817019 /nfs/dbraw/zinc/81/70/19/213817019.db2.gz BRNJGPIAOAREKO-UHFFFAOYSA-N 0 1 334.354 4.550 50 0 EJAAMN O=C(Nc1ccc(Cl)cc1)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000040478270 213313984 /nfs/dbraw/zinc/31/39/84/213313984.db2.gz IHAOJQJOSHJHNE-UHFFFAOYSA-N 0 1 332.190 4.636 50 0 EJAAMN COCCN(Cc1nc(-c2cccc3ccccc32)oc1C)C(C)C ZINC000012387447 202134434 /nfs/dbraw/zinc/13/44/34/202134434.db2.gz QGFNONGYSZEYGX-UHFFFAOYSA-N 0 1 338.451 4.660 50 0 EJAAMN Cc1cccc([C@H]2c3cccn3CCCN2Cc2ccccc2F)c1 ZINC000036348382 213086982 /nfs/dbraw/zinc/08/69/82/213086982.db2.gz SYIBOSCFYZETPX-QFIPXVFZSA-N 0 1 334.438 4.931 50 0 EJAAMN Cc1ccc(-c2noc(-c3cc(-c4ccc(C)cc4C)n[nH]3)n2)cc1 ZINC000035504167 213034192 /nfs/dbraw/zinc/03/41/92/213034192.db2.gz KKEJGLYSDNDZEX-UHFFFAOYSA-N 0 1 330.391 4.719 50 0 EJAAMN COc1ccc2[nH]c(CN3CCCC[C@@H]3c3ccccn3)c(C)c2c1 ZINC000072154852 216044443 /nfs/dbraw/zinc/04/44/43/216044443.db2.gz YLOAEOYOZHBBRQ-OAQYLSRUSA-N 0 1 335.451 4.607 50 0 EJAAMN Cc1ccc(CN2CCCn3cccc3[C@H]2c2ccccc2F)cc1 ZINC000036347820 202321469 /nfs/dbraw/zinc/32/14/69/202321469.db2.gz DPCSAWHFTHFOSB-JOCHJYFZSA-N 0 1 334.438 4.931 50 0 EJAAMN Cc1cc(C[C@@H](C)n2ccnc2-c2ccccc2-c2ccco2)[nH]n1 ZINC000072431370 216224011 /nfs/dbraw/zinc/22/40/11/216224011.db2.gz QPFPAOFWFHEOBJ-OAHLLOKOSA-N 0 1 332.407 4.645 50 0 EJAAMN Cc1cc(C[C@H](C)n2ccnc2-c2ccccc2-c2ccco2)[nH]n1 ZINC000072431371 216224307 /nfs/dbraw/zinc/22/43/07/216224307.db2.gz QPFPAOFWFHEOBJ-HNNXBMFYSA-N 0 1 332.407 4.645 50 0 EJAAMN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000048252044 202595830 /nfs/dbraw/zinc/59/58/30/202595830.db2.gz JKUDXXQIZYSUOX-AWEZNQCLSA-N 0 1 345.402 4.656 50 0 EJAAMN CCCOc1ccc(CN2CCC[C@@H]2c2c(C)noc2CC)cc1 ZINC000021720888 212244756 /nfs/dbraw/zinc/24/47/56/212244756.db2.gz DTDKEZZHZPPYOO-GOSISDBHSA-N 0 1 328.456 4.671 50 0 EJAAMN CCc1onc(C)c1[C@H]1CCCN1Cc1ccccc1OC(C)C ZINC000021720926 212244443 /nfs/dbraw/zinc/24/44/43/212244443.db2.gz WZYWGLRUVPZHGX-QGZVFWFLSA-N 0 1 328.456 4.670 50 0 EJAAMN CN1C[C@H](C(=O)c2ccccc2Cl)[C@H](c2ccc(Cl)cc2)C1 ZINC000229878629 242211067 /nfs/dbraw/zinc/21/10/67/242211067.db2.gz TZYCOGSJLNLMCK-HOTGVXAUSA-N 0 1 334.246 4.522 50 0 EJAAMN Cc1cccc([C@@H]2NCc3c4c(sc3-n3cccc32)CCCC4)c1 ZINC000020864906 212177948 /nfs/dbraw/zinc/17/79/48/212177948.db2.gz YZRCLSJHMHDABG-FQEVSTJZSA-N 0 1 334.488 4.919 50 0 EJAAMN Fc1ccc([C@H]2CCCCN2Cc2cc(-c3ccncc3)no2)cc1 ZINC000244723526 243068624 /nfs/dbraw/zinc/06/86/24/243068624.db2.gz MDFOIGYZHRNVPF-HXUWFJFHSA-N 0 1 337.398 4.603 50 0 EJAAMN Cc1ccc2nc([C@H]3CCCN3Cc3cncn3C3CCCC3)[nH]c2c1 ZINC000072150436 203172459 /nfs/dbraw/zinc/17/24/59/203172459.db2.gz DCOHRZBYRRKVAP-HXUWFJFHSA-N 0 1 349.482 4.520 50 0 EJAAMN CC(C)n1ccnc1C1CCN(Cc2ccc(Cl)c(F)c2)CC1 ZINC000091486027 218011747 /nfs/dbraw/zinc/01/17/47/218011747.db2.gz VZXUCXKVGOLHGA-UHFFFAOYSA-N 0 1 335.854 4.636 50 0 EJAAMN O=C(c1ccc2c3c(cccc31)CC2)[C@H]1CCCN(Cc2ccco2)C1 ZINC000011839956 211254466 /nfs/dbraw/zinc/25/44/66/211254466.db2.gz OZWZHDBOTWKQBD-SFHVURJKSA-N 0 1 345.442 4.626 50 0 EJAAMN Fc1ccccc1-n1c(=S)[nH]nc1C12CC3CC(CC(C3)C1)C2 ZINC000008997198 211030127 /nfs/dbraw/zinc/03/01/27/211030127.db2.gz QUVPZZSRXOPGFP-UHFFFAOYSA-N 0 1 329.444 4.537 50 0 EJAAMN COc1cc([C@H](C)N[C@H]2CCOc3ccccc32)ccc1SC ZINC000095419371 218359885 /nfs/dbraw/zinc/35/98/85/218359885.db2.gz CYWWOYIAZAYJRO-BBRMVZONSA-N 0 1 329.465 4.592 50 0 EJAAMN Cc1ccc2nc(SCc3cc(=O)oc4cc(C)ccc34)[nH]c2c1 ZINC000005927794 210560713 /nfs/dbraw/zinc/56/07/13/210560713.db2.gz OZUYUDMKROGBHA-UHFFFAOYSA-N 0 1 336.416 4.578 50 0 EJAAMN Cc1ccc(O)c(-c2cc(-c3cccc(Br)c3)[nH]n2)c1 ZINC000013126647 207352629 /nfs/dbraw/zinc/35/26/29/207352629.db2.gz WQTDODYARRWKNY-UHFFFAOYSA-N 0 1 329.197 4.520 50 0 EJAAMN CCc1ccccc1-n1c(=S)[nH]nc1C12CC3CC(CC(C3)C1)C2 ZINC000005041300 210371923 /nfs/dbraw/zinc/37/19/23/210371923.db2.gz CDHWSZFHYGQPBN-UHFFFAOYSA-N 0 1 339.508 4.960 50 0 EJAAMN Brc1cccc(CN2CCC(Cc3ccccc3)CC2)c1 ZINC000004990201 210353147 /nfs/dbraw/zinc/35/31/47/210353147.db2.gz KQTMXJIDLIAZOH-UHFFFAOYSA-N 0 1 344.296 4.904 50 0 EJAAMN Clc1ccc(Cl)c(-c2ccc(CNCc3cccnc3)o2)c1 ZINC000004842787 210296575 /nfs/dbraw/zinc/29/65/75/210296575.db2.gz KNCWFXIJCFLVIN-UHFFFAOYSA-N 0 1 333.218 4.938 50 0 EJAAMN Cc1nc([C@@H]2CCCN2Cc2ccc(C3CCCCC3)s2)n[nH]1 ZINC000097527927 219033657 /nfs/dbraw/zinc/03/36/57/219033657.db2.gz BEZBBRWVAWFFTN-INIZCTEOSA-N 0 1 330.501 4.559 50 0 EJAAMN c1ccc(Oc2cccc(CN3CCN(c4ccccc4)CC3)c2)cc1 ZINC000055543477 132195860 /nfs/dbraw/zinc/19/58/60/132195860.db2.gz VFUUMWZZGHDYHF-UHFFFAOYSA-N 0 1 344.458 4.801 50 0 EJAAMN CSc1cccc(NS(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC000002644630 563597786 /nfs/dbraw/zinc/59/77/86/563597786.db2.gz ZUKJRMIPKIOIKW-UHFFFAOYSA-N 0 1 348.276 4.516 50 0 EJAAMN Brc1ccc(-c2csc(Nc3ccncc3)n2)cc1 ZINC000000113038 563230659 /nfs/dbraw/zinc/23/06/59/563230659.db2.gz SCZXSIZZVVWYBC-UHFFFAOYSA-N 0 1 332.226 4.711 50 0 EJAAMN O=C(Nc1cc(-c2ccco2)n[nH]1)Nc1cc(Cl)cc(Cl)c1 ZINC000000170349 563250946 /nfs/dbraw/zinc/25/09/46/563250946.db2.gz HIRGGMMABDISOJ-UHFFFAOYSA-N 0 1 337.166 4.621 50 0 EJAAMN Cc1ccc(C(=O)[C@H](c2ccccc2)N2Cc3ccccc3C2=N)cc1 ZINC000000178325 563253412 /nfs/dbraw/zinc/25/34/12/563253412.db2.gz YBBRQBNEGMHXRA-NRFANRHFSA-N 0 1 340.426 4.760 50 0 EJAAMN CN1CCC[C@@H](OC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)C1 ZINC000000459958 563326087 /nfs/dbraw/zinc/32/60/87/563326087.db2.gz LIXBXGQITYSGOE-GOSISDBHSA-N 0 1 331.500 4.533 50 0 EJAAMN CSc1ccc(C(=O)c2cccc(CN3CCCCC3)c2)cc1 ZINC000002515004 563435804 /nfs/dbraw/zinc/43/58/04/563435804.db2.gz CSQVZBJIDXUBSD-UHFFFAOYSA-N 0 1 325.477 4.625 50 0 EJAAMN O=C(c1cccc(CN2CCCCC2)c1)c1ccc(Cl)c(F)c1 ZINC000002515018 563435837 /nfs/dbraw/zinc/43/58/37/563435837.db2.gz PQDSQEOVXVKKAJ-UHFFFAOYSA-N 0 1 331.818 4.696 50 0 EJAAMN O=C(c1ccc(C(F)(F)F)cc1)c1cccc(CN2CCCCC2)c1 ZINC000002515024 563435842 /nfs/dbraw/zinc/43/58/42/563435842.db2.gz MUNLUXAEMMWICG-UHFFFAOYSA-N 0 1 347.380 4.922 50 0 EJAAMN O=C(c1ccccc1CN1CCCC1)c1ccccc1C(F)(F)F ZINC000002515573 563437095 /nfs/dbraw/zinc/43/70/95/563437095.db2.gz QBVDOAQREOUYIN-UHFFFAOYSA-N 0 1 333.353 4.532 50 0 EJAAMN O=C(c1cc(Cl)cc(Cl)c1)c1ccccc1CN1CCCC1 ZINC000002515584 563437121 /nfs/dbraw/zinc/43/71/21/563437121.db2.gz AOCSLRUFTYSNFD-UHFFFAOYSA-N 0 1 334.246 4.820 50 0 EJAAMN O=P(Nc1ccccn1)(Oc1ccccc1)Oc1ccccc1 ZINC000002727357 563447011 /nfs/dbraw/zinc/44/70/11/563447011.db2.gz UNKURGNQSBPFNC-UHFFFAOYSA-N 0 1 326.292 4.760 50 0 EJAAMN CCCc1n[nH]c(-c2cccc(Cl)c2)c1NC(=O)c1cccs1 ZINC000034794693 563479618 /nfs/dbraw/zinc/47/96/18/563479618.db2.gz IIBADKNSOPQDEZ-UHFFFAOYSA-N 0 1 345.855 4.996 50 0 EJAAMN O=C(Nc1c(C2CC2)n[nH]c1-c1cccc(F)c1)C1CCCCC1 ZINC000034795029 563479962 /nfs/dbraw/zinc/47/99/62/563479962.db2.gz KIDJBOKLFLBFIB-UHFFFAOYSA-N 0 1 327.403 4.612 50 0 EJAAMN CC(C)(C)c1ccc(-c2[nH]nc(C3CC3)c2NC(=O)C2CCC2)cc1 ZINC000034795825 563480328 /nfs/dbraw/zinc/48/03/28/563480328.db2.gz IMOBUJMIWSNUQS-UHFFFAOYSA-N 0 1 337.467 4.990 50 0 EJAAMN CCCc1nc2ccc(Cc3ccc4[nH]c(CCC)nc4c3)cc2[nH]1 ZINC000005686247 563545593 /nfs/dbraw/zinc/54/55/93/563545593.db2.gz BPPWHLCHPCIQPM-UHFFFAOYSA-N 0 1 332.451 4.935 50 0 EJAAMN CCCc1nc2ccc(Cc3ccc4nc(CCC)[nH]c4c3)cc2[nH]1 ZINC000005686247 563545594 /nfs/dbraw/zinc/54/55/94/563545594.db2.gz BPPWHLCHPCIQPM-UHFFFAOYSA-N 0 1 332.451 4.935 50 0 EJAAMN CCCOc1ccc(CCc2n[nH]c(=S)n2-c2ccccc2)cc1 ZINC000005694943 563545811 /nfs/dbraw/zinc/54/58/11/563545811.db2.gz SMFXJLYFZLRLBK-UHFFFAOYSA-N 0 1 339.464 4.504 50 0 EJAAMN CC(C)Oc1ccccc1-c1n[nH]c(SCc2ccc(F)cc2)n1 ZINC000005817443 563551529 /nfs/dbraw/zinc/55/15/29/563551529.db2.gz CYLLEPLISCTYAR-UHFFFAOYSA-N 0 1 343.427 4.690 50 0 EJAAMN CC(C)c1cnc(CSc2nc(-c3ccc(Cl)cc3)n[nH]2)o1 ZINC000071904406 563559882 /nfs/dbraw/zinc/55/98/82/563559882.db2.gz JFQRCMPTBYHIHW-UHFFFAOYSA-N 0 1 334.832 4.529 50 0 EJAAMN CCOC(=O)c1ccc2nc(C)cc(Nc3cccc(C(C)=O)c3)c2c1 ZINC000006350401 563565548 /nfs/dbraw/zinc/56/55/48/563565548.db2.gz KTADYZDTOHTNMR-UHFFFAOYSA-N 0 1 348.402 4.666 50 0 EJAAMN Cc1ccc2nc(-c3ccc(NC(=O)c4cccs4)cc3)[nH]c2c1 ZINC000008558698 563632370 /nfs/dbraw/zinc/63/23/70/563632370.db2.gz XPZSBUISVQXIGP-UHFFFAOYSA-N 0 1 333.416 4.852 50 0 EJAAMN Cc1ccccc1NC(=O)[C@H](C)N(C)Cc1ccc2ccccc2c1 ZINC000012992652 563682628 /nfs/dbraw/zinc/68/26/28/563682628.db2.gz FJLKKRPPIISOIZ-KRWDZBQOSA-N 0 1 332.447 4.607 50 0 EJAAMN COc1cccc(Oc2nc(-c3ccccc3O)nc3ccccc32)c1 ZINC000013121846 563688970 /nfs/dbraw/zinc/68/89/70/563688970.db2.gz HKXJLXFOQGRCMJ-UHFFFAOYSA-N 0 1 344.370 4.803 50 0 EJAAMN Fc1ccc(CNCc2ccccc2OCc2ccc(F)cc2)cc1 ZINC000016449734 563811688 /nfs/dbraw/zinc/81/16/88/563811688.db2.gz JPXDFWADKQSRPF-UHFFFAOYSA-N 0 1 339.385 4.834 50 0 EJAAMN Fc1ccccc1COc1ccccc1CNCc1cccs1 ZINC000016449792 563812046 /nfs/dbraw/zinc/81/20/46/563812046.db2.gz WARRPFNOUDYPNA-UHFFFAOYSA-N 0 1 327.424 4.756 50 0 EJAAMN Clc1ccc(Cl)c(-c2ccc(CNCc3ccncc3)o2)c1 ZINC000016489189 563813264 /nfs/dbraw/zinc/81/32/64/563813264.db2.gz LCVFGFADLMNWSU-UHFFFAOYSA-N 0 1 333.218 4.938 50 0 EJAAMN CCCCC(=O)NC[C@@H](c1ccccc1Cl)N1CCCCCC1 ZINC000027584016 563897446 /nfs/dbraw/zinc/89/74/46/563897446.db2.gz BBOZOVPZWXTDHZ-SFHVURJKSA-N 0 1 336.907 4.564 50 0 EJAAMN CCCCCOc1cc(C)ccc1S(=O)(=O)Nc1ccccc1C ZINC000028252122 563901882 /nfs/dbraw/zinc/90/18/82/563901882.db2.gz FMVWWNJVUYNGLU-UHFFFAOYSA-N 0 1 347.480 4.673 50 0 EJAAMN Cc1cccc(C(C)C)c1NC(=O)CN(C)[C@H]1CCc2ccccc21 ZINC000029483166 563906807 /nfs/dbraw/zinc/90/68/07/563906807.db2.gz QSELXJPKDKYPSU-FQEVSTJZSA-N 0 1 336.479 4.676 50 0 EJAAMN COc1ccc(CN2CCCCC[C@H]2c2cccc(F)c2)cc1O ZINC000033087155 563914959 /nfs/dbraw/zinc/91/49/59/563914959.db2.gz KMNHWPXZZJNRGM-SFHVURJKSA-N 0 1 329.415 4.657 50 0 EJAAMN CCOC(=O)c1ccc2nc(C)cc(Nc3ccc(N(C)C)cc3)c2c1 ZINC000000081030 563916883 /nfs/dbraw/zinc/91/68/83/563916883.db2.gz LUKUBICLEWSDST-UHFFFAOYSA-N 0 1 349.434 4.530 50 0 EJAAMN C[C@]12CCCCN1CCc1c3ccccc3n(Cc3ccccc3)c12 ZINC000051943493 563931974 /nfs/dbraw/zinc/93/19/74/563931974.db2.gz ZBJOXDVCELHJTF-HSZRJFAPSA-N 0 1 330.475 4.947 50 0 EJAAMN CCCOc1ccc(CN2CCC[C@@H]2c2cc(C(C)C)no2)cc1 ZINC000064984490 563957553 /nfs/dbraw/zinc/95/75/53/563957553.db2.gz BCOHUCOTUQLXMZ-LJQANCHMSA-N 0 1 328.456 4.924 50 0 EJAAMN Fc1ccccc1-c1ccc(CNCc2cccc3c2OCO3)s1 ZINC000060527064 563964581 /nfs/dbraw/zinc/96/45/81/563964581.db2.gz PGVWJOHCIMATMB-UHFFFAOYSA-N 0 1 341.407 4.573 50 0 EJAAMN CC(C)N(C(=O)c1ccccc1-c1cccc2c(N)ccnc21)C(C)C ZINC000096131671 563979329 /nfs/dbraw/zinc/97/93/29/563979329.db2.gz RUFAHJCQTIWOQR-UHFFFAOYSA-N 0 1 347.462 4.743 50 0 EJAAMN Cc1ccc2nc(S[C@H](C)c3nnc(-c4ccccc4)o3)[nH]c2c1 ZINC000005165187 563997929 /nfs/dbraw/zinc/99/79/29/563997929.db2.gz VMQVLDNZRFWDDH-GFCCVEGCSA-N 0 1 336.420 4.775 50 0 EJAAMN Oc1ccc(-c2[nH]c(-c3ccccc3O)nc2-c2ccccc2)cc1 ZINC000000460251 564000841 /nfs/dbraw/zinc/00/08/41/564000841.db2.gz PHLLUEBIABZXRY-UHFFFAOYSA-N 0 1 328.371 4.822 50 0 EJAAMN O=C(c1ccccc1)[C@H]1Oc2ccccc2OC=C1c1ccccc1 ZINC000003138790 564012410 /nfs/dbraw/zinc/01/24/10/564012410.db2.gz DFHGQWDTWMIVQP-QFIPXVFZSA-N 0 1 328.367 4.750 50 0 EJAAMN c1ccc(-c2n[nH]c(SCCOc3ccc4ccccc4c3)n2)cc1 ZINC000043808449 564017672 /nfs/dbraw/zinc/01/76/72/564017672.db2.gz AWEQGCLQPFRLCZ-UHFFFAOYSA-N 0 1 347.443 4.796 50 0 EJAAMN CC(C)CCN[C@@H]1c2ccccc2C(=O)N1[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000103204031 564022030 /nfs/dbraw/zinc/02/20/30/564022030.db2.gz BZJSNQIIXJXKDL-FEHORTKBSA-N 0 1 328.500 4.601 50 0 EJAAMN Cc1ccccc1-c1noc(-c2cc(-c3cccc(Cl)c3)n[nH]2)n1 ZINC000046913972 564025496 /nfs/dbraw/zinc/02/54/96/564025496.db2.gz WSCZPKKDYSAYBJ-UHFFFAOYSA-N 0 1 336.782 4.756 50 0 EJAAMN Cc1ccc(-c2cc(C(=O)Nc3cc(Cl)cc(Cl)c3)[nH]n2)cc1 ZINC000044837735 564027288 /nfs/dbraw/zinc/02/72/88/564027288.db2.gz SPGSYGSWYVRDIK-UHFFFAOYSA-N 0 1 346.217 4.944 50 0 EJAAMN CC(C)n1cc([C@H](C)N[C@H](C)c2cccc(Br)c2)cn1 ZINC000095962852 564033830 /nfs/dbraw/zinc/03/38/30/564033830.db2.gz WEWNFUXQMYODCN-OLZOCXBDSA-N 0 1 336.277 4.638 50 0 EJAAMN O=C(Nc1ccc(OC2CCCC2)cc1)c1ccc(O)c(Cl)c1 ZINC000084414499 564068090 /nfs/dbraw/zinc/06/80/90/564068090.db2.gz RMNYUSZLWKVEJB-UHFFFAOYSA-N 0 1 331.799 4.619 50 0 EJAAMN C[C@@H](c1nc(-c2cccs2)no1)N1CCC(c2ccccc2)CC1 ZINC000084667780 564069530 /nfs/dbraw/zinc/06/95/30/564069530.db2.gz QMKMTWBDGYZBLX-AWEZNQCLSA-N 0 1 339.464 4.739 50 0 EJAAMN CCCc1nc2ccc(CCC(=O)Nc3cccc(CC)c3)cc2[nH]1 ZINC000075465666 564085929 /nfs/dbraw/zinc/08/59/29/564085929.db2.gz RUDBRCMUOYFCET-UHFFFAOYSA-N 0 1 335.451 4.649 50 0 EJAAMN CCCc1nc2ccc(CCC(=O)Nc3cc(C)cc(C)c3)cc2[nH]1 ZINC000075465659 564085949 /nfs/dbraw/zinc/08/59/49/564085949.db2.gz BKRWEGXBIWDBRK-UHFFFAOYSA-N 0 1 335.451 4.704 50 0 EJAAMN CCCc1nc2ccc(CCC(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000075465608 564085958 /nfs/dbraw/zinc/08/59/58/564085958.db2.gz GXDXSPCGFYFITF-UHFFFAOYSA-N 0 1 341.842 4.740 50 0 EJAAMN CCCc1nc2ccc(CCC(=O)Nc3ccc(C)c(F)c3)cc2[nH]1 ZINC000075465668 564086015 /nfs/dbraw/zinc/08/60/15/564086015.db2.gz FQPHJDKJCURENX-UHFFFAOYSA-N 0 1 339.414 4.534 50 0 EJAAMN C[C@H](C(=O)Nc1ccc(Cl)cc1)N1CCC[C@H]1c1cccs1 ZINC000239275171 564088038 /nfs/dbraw/zinc/08/80/38/564088038.db2.gz BGOONDJWFCOMKF-DOMZBBRYSA-N 0 1 334.872 4.566 50 0 EJAAMN Cc1oc(-c2ccccc2)nc1CN1CCC[C@H]1c1ccc(O)cc1 ZINC000089548110 564092819 /nfs/dbraw/zinc/09/28/19/564092819.db2.gz ZWBSNWQQGSVQDU-FQEVSTJZSA-N 0 1 334.419 4.693 50 0 EJAAMN Cc1ccc(-c2cc(C(=O)Nc3cccc4c3CCCC4)[nH]n2)cc1C ZINC000006943233 564102010 /nfs/dbraw/zinc/10/20/10/564102010.db2.gz CWVMUCGMCYNJNO-UHFFFAOYSA-N 0 1 345.446 4.825 50 0 EJAAMN Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)N2CCC(C)CC2)c1 ZINC000007389223 564107609 /nfs/dbraw/zinc/10/76/09/564107609.db2.gz GNGUTLBKOLBDQP-NRFANRHFSA-N 0 1 336.479 4.715 50 0 EJAAMN C[C@@H]1C[C@@H](c2cccnc2)N(Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000170606862 564109581 /nfs/dbraw/zinc/10/95/81/564109581.db2.gz RDXJWDYYYVGSKU-ZHRRBRCNSA-N 0 1 347.437 4.866 50 0 EJAAMN C[C@@H](C(=O)c1c[nH]c2ccccc12)N1CCC(Cc2ccccc2)CC1 ZINC000002209061 564121219 /nfs/dbraw/zinc/12/12/19/564121219.db2.gz LJZRIKYFPLWKSF-KRWDZBQOSA-N 0 1 346.474 4.694 50 0 EJAAMN C[C@H](C(=O)c1c[nH]c2ccccc12)N1CCC(Cc2ccccc2)CC1 ZINC000002209063 564121235 /nfs/dbraw/zinc/12/12/35/564121235.db2.gz LJZRIKYFPLWKSF-QGZVFWFLSA-N 0 1 346.474 4.694 50 0 EJAAMN FC(F)(F)Oc1ccc([C@@H]2NCc3ccccc3-n3cccc32)cc1 ZINC000055211071 564134446 /nfs/dbraw/zinc/13/44/46/564134446.db2.gz JJEXDQGGUVTJJC-SFHVURJKSA-N 0 1 344.336 4.569 50 0 EJAAMN Cc1cc2oc(=O)cc(CN3CC=C(c4ccccc4)CC3)c2cc1C ZINC000057406459 564153991 /nfs/dbraw/zinc/15/39/91/564153991.db2.gz AWZJZWOYQNTPIB-UHFFFAOYSA-N 0 1 345.442 4.699 50 0 EJAAMN CCc1cccc(NC(=O)c2cc(-c3ccccc3Cl)n[nH]2)c1 ZINC000057412188 564154055 /nfs/dbraw/zinc/15/40/55/564154055.db2.gz JQUMURGFDGVNAE-UHFFFAOYSA-N 0 1 325.799 4.545 50 0 EJAAMN Cc1cc(Cl)ccc1NC(=O)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000057412357 564154089 /nfs/dbraw/zinc/15/40/89/564154089.db2.gz NHTSAOJMAUTUJE-UHFFFAOYSA-N 0 1 346.217 4.944 50 0 EJAAMN CCN(C(=O)c1cc(-c2cccc(Cl)c2)n[nH]1)c1cccc(C)c1 ZINC000057412722 564154195 /nfs/dbraw/zinc/15/41/95/564154195.db2.gz GCLPHLFSSZGKLR-UHFFFAOYSA-N 0 1 339.826 4.705 50 0 EJAAMN COc1cc(CN[C@H](C)c2ccc(Cl)cc2Cl)cc(OC)c1 ZINC000057681658 564155443 /nfs/dbraw/zinc/15/54/43/564155443.db2.gz CVMDWBSIEASELO-LLVKDONJSA-N 0 1 340.250 4.861 50 0 EJAAMN CC(C)c1ccccc1NC(=O)CN(C)[C@@H]1CCCc2ccccc21 ZINC000008126572 564162898 /nfs/dbraw/zinc/16/28/98/564162898.db2.gz QDWOPAICAFGVPC-OAQYLSRUSA-N 0 1 336.479 4.758 50 0 EJAAMN Cc1cccc(NC(=O)CN(C)Cc2cccc3ccccc32)c1C ZINC000008153148 564163221 /nfs/dbraw/zinc/16/32/21/564163221.db2.gz UDRUBLDFUHZJIC-UHFFFAOYSA-N 0 1 332.447 4.527 50 0 EJAAMN C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000263571876 564164346 /nfs/dbraw/zinc/16/43/46/564164346.db2.gz KAPAFTKZXYALRS-KBPBESRZSA-N 0 1 331.843 4.662 50 0 EJAAMN C[C@H](C(=O)Nc1cccc(Cl)c1)N1CCC[C@@H]1c1cccs1 ZINC000008320646 564164366 /nfs/dbraw/zinc/16/43/66/564164366.db2.gz YIDXPZFRIWKIBD-IUODEOHRSA-N 0 1 334.872 4.566 50 0 EJAAMN CC(C)(C)c1nc(CSc2nc(-c3ccccc3F)n[nH]2)cs1 ZINC000041703079 564174312 /nfs/dbraw/zinc/17/43/12/564174312.db2.gz UETWXPQQUCIMBA-UHFFFAOYSA-N 0 1 348.472 4.657 50 0 EJAAMN